SCHEMBL7472563

SCHEMBL7472563

CC(C)Cc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.47
GPR119 Q8TDV5 6/20 0.44
ALK Q9UM73 1/20 0.41
CHEK2 O96017 1/20 0.39
NSD2 O96028 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ACSL1 P33121 1/20 0.38
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL7478361 0.94 GPR119 (0.44) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7486840 0.92 SLC22A12 (0.48) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7481236 0.91 SLC22A12 (0.47) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7476580 0.89 SLC22A12 (0.46) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7484237 0.88 SLC22A12 (0.50) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7483548 0.88 SLC22A12 (0.49) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7486549 0.86 SLC22A12 (0.48) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7479402 0.86 GPR119 (0.46) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7483410 0.85 GPR119 (0.45) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7484102 0.84 GPR119 (0.44) SLC22A12GPR119ALKCHEK2NSD2

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-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed