SCHEMBL3153463

SCHEMBL3153463

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CN(C)CCCNC(C)=O)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.42
TMEM97 Q5BJF2 13/20 0.41
LTA4H P09960 3/20 0.41
OPRM1 P35372 1/20 0.40
ACKR3 P25106 1/20 0.39
APP P05067 1/20 0.38

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
SCHEMBL3153480 1.00 SIGMAR1 (0.42) SIGMAR1TMEM97LTA4HOPRM1ACKR3
SCHEMBL2123546 0.95 ALDH1A1 (0.38) SIGMAR1TMEM97LTA4H
SCHEMBL2123549 0.95 ALDH1A1 (0.38) SIGMAR1TMEM97LTA4H
SCHEMBL479558 0.93 SIGMAR1 (0.42) SIGMAR1TMEM97LTA4HOPRM1ACKR3
SCHEMBL479556 0.93 SIGMAR1 (0.42) SIGMAR1TMEM97LTA4HOPRM1ACKR3
SCHEMBL479554 0.93 SIGMAR1 (0.42) SIGMAR1TMEM97LTA4HOPRM1ACKR3
SCHEMBL2566188 0.90 LTA4H (0.43) SIGMAR1TMEM97LTA4H
SCHEMBL2566183 0.90 LTA4H (0.43) SIGMAR1TMEM97LTA4H
SCHEMBL3148338 0.90 KDM4E (0.41) SIGMAR1TMEM97LTA4H
SCHEMBL3148349 0.90 KDM4E (0.41) SIGMAR1TMEM97LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed