SCHEMBL8705016

SCHEMBL8705016

O=C(O)C(Cc1c[nH]c2ccccc12)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.69
ALOX15 P16050 1/20 0.62
ACE P12821 3/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
LTA4H P09960 1/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
APAF1 O14727 1/20 0.59
POLB P06746 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MPO P05164 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
ITGB2 P05107 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29810269 1.00 KCNT1 (0.69) KCNT1ALOX15ACEKMT2ASMN1; SMN2
SCHEMBL9583736 1.00 KCNT1 (0.69) KCNT1ALOX15ACEKMT2ASMN1; SMN2
SCHEMBL900917 1.00 KCNT1 (0.69) KCNT1ALOX15ACEKMT2ASMN1; SMN2
SCHEMBL150050 0.92 ALOX15 (0.65) ALOX15ACEKMT2ASMN1; SMN2KDM4E
SCHEMBL22654181 0.92 ALOX15 (0.65) ALOX15ACEKMT2ASMN1; SMN2KDM4E
SCHEMBL29773000 0.92 ALOX15 (0.65) ALOX15ACEKMT2ASMN1; SMN2KDM4E
SCHEMBL9805977 0.92 KCNT1 (0.62) KCNT1ALOX15ACEKMT2AITGB2
SCHEMBL11346003 0.92 KCNT1 (0.62) KCNT1ALOX15ACEKMT2AITGB2
SCHEMBL901464 0.90 KCNT1 (0.66) KCNT1KMT2AKDM4EMAPTMEN1
SCHEMBL27923213 0.90 KCNT1 (0.66) KCNT1KMT2AKDM4EMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466313-B 1-Imidazole-beta-carboline-3-formyl-LDV, preparation, anticancer metastasis activity and application 首都医科大学 2025-03-28 CN disclosed
CN-115466250-B 6-Aminocaproyl tryptophan benzyl ester modified oxo-oxazolidines, synthesis, activity and application thereof 首都医科大学 2024-06-18 CN disclosed
CN-113754720-B Synthesis, biological activity and application of dimethyl dioxane-tetrahydro-beta-carboline-3-formyl-RGDF 首都医科大学 2024-04-23 CN disclosed
CN-113754725-B Synthesis, biological activity and application of dimethyl dioxane-tetrahydro-beta-carboline-3-formyl-RGDV 首都医科大学 2024-04-23 CN disclosed
CN-115477656-B Dioxahexacyclic-tetrahydrocarboline-3-formylamino acid targeting P-selectin, preparation and application 首都医科大学 2024-04-19 CN disclosed
CN-115477655-B Preparation and application of dioxane-tetrahydrocarboline-3-formylamino acid in butt joint with tumor necrosis factor-alpha 首都医科大学 2024-04-19 CN disclosed
CN-113754724-B Synthesis, biological activity and application of dimethyl dioxane-tetrahydro-beta-carboline-3-formyl-RGDS 首都医科大学 2023-12-19 CN disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
CN-110294740-A A kind of N- benzyl amino acid water solubility couroupitine A and its preparation method and application 同济大学 2019-10-01 CN disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-5834433-A ANTITUMOR AND -CARCINOMA AGENTS; SMALL CELL LUNG AND PROSTATIC CARCINOMA; ANTIMIOTIC AND ANTISECRETORY AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-11-10 US disclosed
EP-0468497-A2 Peptide-antagonists of bombesin/GRP MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed
EP-0434979-A1 Peptide derivatives useful as antagonists of bombesin and gastrin-releasing peptide MERRELL DOW PHARMACEUTICALS INC. (US) 1991-07-03 EP disclosed
CN-1051914-A The peptide class MERRELL DOW PHARMA 1991-06-05 CN disclosed
EP-0145304-A1 Tetrahydro-beta-carboline derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-06-19 EP disclosed