SCHEMBL7488976

SCHEMBL7488976

CC(C)(C)OC(=O)N1CCC(Oc2ccc3ncn(-c4ccc(C#N)c5ccccc45)c3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
NSD2 O96028 1/20 0.43
ALK Q9UM73 1/20 0.42
CHEK2 O96017 1/20 0.42
TBK1 Q9UHD2 2/20 0.41
IKBKE Q14164 1/20 0.41
NEK2 P51955 2/20 0.40
PLK1 P53350 2/20 0.40

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
SCHEMBL7481800 0.94 GPR119 (0.49) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7481263 0.85 ALDH1A1 (0.45) GPR119NSD2
SCHEMBL7481717 0.85 GPR119 (0.48) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7481127 0.84 GPR119 (0.47) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7479402 0.83 GPR119 (0.46) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7478740 0.83 GPR119 (0.46) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7483410 0.82 GPR119 (0.45) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7484237 0.82 SLC22A12 (0.50) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7478361 0.81 GPR119 (0.44) GPR119NSD2ALKCHEK2TBK1
SCHEMBL7483548 0.81 SLC22A12 (0.49) GPR119NSD2ALKCHEK2TBK1

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