SCHEMBL7478361

SCHEMBL7478361

CC(C)Cc1nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2n1-c1ccc(C#N)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.44
ALK Q9UM73 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
CHEK2 O96017 1/20 0.40
TBK1 Q9UHD2 2/20 0.38
NSD2 O96028 1/20 0.38
IKBKE Q14164 1/20 0.38
S1PR3 Q99500 1/20 0.38
FPR2 P25090 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

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
SCHEMBL7472563 0.94 SLC22A12 (0.47) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7479402 0.92 GPR119 (0.46) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7483410 0.91 GPR119 (0.45) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7484102 0.89 GPR119 (0.44) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7481717 0.88 GPR119 (0.48) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7481127 0.88 GPR119 (0.47) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7486840 0.86 SLC22A12 (0.48) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7478740 0.86 GPR119 (0.46) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7481236 0.85 SLC22A12 (0.47) GPR119ALKSLC22A12CHEK2TBK1
SCHEMBL7476580 0.84 SLC22A12 (0.46) GPR119ALKSLC22A12CHEK2TBK1

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