SCHEMBL7476580

SCHEMBL7476580

CCCCc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.46
GPR119 Q8TDV5 3/20 0.44
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41
ALK Q9UM73 1/20 0.40
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
CNR2 P34972 1/20 0.39
CHEK2 O96017 1/20 0.38
NSD2 O96028 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 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
SCHEMBL7481236 0.96 SLC22A12 (0.47) SLC22A12GPR119F10F2ALK
SCHEMBL7484102 0.94 GPR119 (0.44) SLC22A12GPR119F10F2ALK
SCHEMBL7486840 0.93 SLC22A12 (0.48) SLC22A12GPR119F10F2ALK
SCHEMBL7483410 0.90 GPR119 (0.45) SLC22A12GPR119F10F2ALK
SCHEMBL7472563 0.89 SLC22A12 (0.47) SLC22A12GPR119F10F2ALK
SCHEMBL7484237 0.88 SLC22A12 (0.50) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7479402 0.87 GPR119 (0.46) SLC22A12GPR119F10F2ALK
SCHEMBL7483548 0.87 SLC22A12 (0.49) SLC22A12GPR119F10F2ALK
SCHEMBL7486549 0.85 SLC22A12 (0.48) SLC22A12GPR119ALKCHEK2NSD2
SCHEMBL7478361 0.84 GPR119 (0.44) SLC22A12GPR119F10F2ALK

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