SCHEMBL30711314

SCHEMBL30711314

COC(=O)c1ccc(C2CC(c3csc(C)c3)CCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ GLA P06280 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ AR P10275 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30711212 0.87 DAO (0.40) ALDH1A1MAPTPOLBSMN1; SMN2HNF4A
SCHEMBL30711246 0.85 MEN1 (0.37) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30711390 0.85 MEN1 (0.37) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25076785 0.81 GRIN2B (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29213808 0.81 GRIN2B (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL25076786 0.81 GRIN2B (0.47) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30711361 0.81 HTT (0.38) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30711242 0.80 KDM4E (0.42) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30711368 0.80 HTT (0.42) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30711329 0.78 MEN1 (0.40) HTTMEN1KMT2AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 — — WO disclosed
Send feedback