SCHEMBL9939991

SCHEMBL9939991

CC(=O)N1CCN(c2cc3[nH]c(Nc4cc(CNC(=O)C5(CF)CC5)ccc4Cl)nc3cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.40
OPRL1 P41146 4/20 0.38
KCNH2 Q12809 2/20 0.38
PTGES O14684 4/20 0.38
OPRK1 P41145 1/20 0.34

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
SCHEMBL9939820 0.89 PTGES (0.44) ENPP2OPRL1KCNH2PTGESOPRK1
SCHEMBL9939992 0.83 PTGES (0.37) PTGES
SCHEMBL9939985 0.81 PTGES (0.45) OPRL1KCNH2PTGESOPRK1
SCHEMBL9939884 0.80 OPRL1 (0.42) OPRL1KCNH2PTGESOPRK1
SCHEMBL9939886 0.78 PTGES (0.44) OPRL1KCNH2PTGESOPRK1
SCHEMBL9939894 0.78 PTGES (0.46) OPRL1KCNH2PTGESOPRK1
SCHEMBL9940060 0.78 PTGES (0.44) PTGES
SCHEMBL9899436 0.77 OPRL1 (0.39) OPRL1PTGES
SCHEMBL9939818 0.77 PTGES (0.44) PTGES
SCHEMBL9940004 0.75 PTGES (0.46) PTGES

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-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed