SCHEMBL7481127

SCHEMBL7481127

CC(C)(C)OC(=O)N1CCC(Oc2ccc3nc(C(C)(C)C)n(-c4ccc(C#N)c5ccccc45)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.47
SLC22A12 Q96S37 3/20 0.42
CHEK2 O96017 1/20 0.42
TBK1 Q9UHD2 2/20 0.41
IKBKE Q14164 1/20 0.41
ALK Q9UM73 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NSD2 O96028 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL7478740 0.94 GPR119 (0.46) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7483548 0.94 SLC22A12 (0.49) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7481717 0.92 GPR119 (0.48) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7479402 0.89 GPR119 (0.46) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7483410 0.88 GPR119 (0.45) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7486549 0.88 SLC22A12 (0.48) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7478361 0.88 GPR119 (0.44) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7484102 0.87 GPR119 (0.44) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7484237 0.85 SLC22A12 (0.50) GPR119SLC22A12CHEK2TBK1IKBKE
SCHEMBL7488976 0.84 GPR119 (0.49) GPR119CHEK2TBK1IKBKEALK

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