SCHEMBL9899766

SCHEMBL9899766

CN(C)CC1CCN(c2cc3nc(Nc4cc(CN)ccc4Cl)[nH]c3cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.35
CAMK2D Q13557 1/20 0.33
OPRL1 P41146 13/20 0.33
OPRM1 P35372 5/20 0.33
OPRK1 P41145 5/20 0.33
PRCP P42785 1/20 0.32
KDM1A O60341 1/20 0.31
PRSS12 P56730 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CECR2 Q9BXF3 1/20 0.31

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
SCHEMBL9939955 0.97 PTGES (0.33) PTGESCAMK2DOPRK1PRCPKDM1A
SCHEMBL9899657 0.84 PTGES (0.41) PTGESOPRL1OPRM1OPRK1
SCHEMBL9900234 0.83 OPRK1 (0.37) PTGESCAMK2DOPRL1OPRM1OPRK1
SCHEMBL9939951 0.83 PTGES (0.46) PTGES
SCHEMBL9939952 0.81 PTGES (0.40) PTGESOPRL1
SCHEMBL9940009 0.80 OPRK1 (0.37) CAMK2DOPRK1PRCPKDM1A
SCHEMBL9899388 0.78 OPRL1 (0.33) OPRL1OPRM1OPRK1KDM1A
SCHEMBL14119600 0.74 KDM1A (0.33) OPRL1OPRM1OPRK1KDM1A
SCHEMBL9939926 0.72 PTGES (0.49) PTGES
SCHEMBL9939817 0.72 KCNH2 (0.43) OPRL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed