SCHEMBL6577243

SCHEMBL6577243

CCCCC1CNCCS1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.43
MAOB P27338 3/20 0.43
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31
CYP1A2 P05177 1/20 0.30
GLB1 P16278 1/20 0.30

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
SCHEMBL1639951 0.94 MAOA (0.42) MAOAMAOBALDH1A1GNAI3GNAO1
SCHEMBL7297284 0.92 MAOA (0.41) MAOAMAOBALDH1A1GNAI3GNAO1
Hydroxyamine SCHEMBL27661557 0.89 MAOA (0.39) MAOAMAOBALDH1A1GNAI3GNAO1
Benzene SCHEMBL27331265 0.88 MAOB (0.41) MAOAMAOBALDH1A1GNAI3GNAO1
SCHEMBL10901450 0.88
SCHEMBL28092827 0.80 MAOA (0.30) MAOAMAOB
SCHEMBL21056397 0.80 MAOA (0.30) MAOAMAOB
SCHEMBL21246962 0.80 MAOA (0.30) MAOAMAOB
SCHEMBL27537563 0.79
SCHEMBL2911167 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105228606-A Composition of alpha-2 adrenergic receptor and sigma receptor ligand ESTEVE LABOR DR 2016-01-06 CN claimed
WO-2015134790-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-09-11 WO disclosed
EP-1005458-B1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMA CO LTD (JP) 2004-10-13 EP disclosed
US-6133264-A Carbostyril derivatives for inhibiting skin erythema and/or skin pigmentation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-1005458-A1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-07 EP disclosed
WO-1999009011-A1 CARBOSTYRIL DERIVATIVES FOR INHIBITING SKIN ERYTHEMA AND/OR SKIN PIGMENTATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-02-25 WO disclosed
EP-0248854-B1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-04-25 EP disclosed
US-4870063-A Bisphosphonic acid derivatives, their production and use LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1989-09-26 US disclosed
EP-0248854-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-16 EP disclosed
WO-1987003598-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-18 WO disclosed