SCHEMBL9899388

SCHEMBL9899388

NCc1ccc(Cl)c(Nc2nc3cc(N4CCC5(CC5)C4)c(Cl)cc3[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.33
OPRK1 P41145 4/20 0.33
OPRM1 P35372 3/20 0.33
EGLN1 Q9GZT9 2/20 0.33
KDM1A O60341 3/20 0.33
KCNH2 Q12809 3/20 0.33
CSF1R P07333 1/20 0.32

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
SCHEMBL14119600 0.96 KDM1A (0.33) OPRL1OPRK1OPRM1KDM1ACSF1R
SCHEMBL9940060 0.80 PTGES (0.44)
SCHEMBL9899766 0.78 PTGES (0.35) OPRL1OPRK1OPRM1KDM1A
SCHEMBL9899436 0.78 OPRL1 (0.39) OPRL1
SCHEMBL9899450 0.76 MAP2K7 (0.41) KCNH2CSF1R
SCHEMBL9939817 0.76 KCNH2 (0.43) OPRL1KDM1AKCNH2
SCHEMBL9940004 0.75 PTGES (0.46)
SCHEMBL9939955 0.74 PTGES (0.33) OPRK1KDM1A
SCHEMBL9900234 0.74 OPRK1 (0.37) OPRL1OPRK1OPRM1KCNH2
SCHEMBL9940009 0.71 OPRK1 (0.37) OPRK1KDM1A

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