SCHEMBL9828063

SCHEMBL9828063

Sc1nc2cc(OCC3CC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
PARP15 Q460N3 5/20 0.43
PARP10 Q53GL7 5/20 0.43
HTR3A P46098 2/20 0.43
KCNH2 Q12809 2/20 0.43
SLC6A3 Q01959 3/20 0.41
CHEK2 O96017 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C9 P11712 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4D Q08499 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
PARP2 Q9UGN5 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
SCHEMBL9828070 0.89 CHEK2 (0.47) SLC6A2SLC6A4PARP15PARP10HTR3A
SCHEMBL917237 0.79 HSD17B10 (0.49)
SCHEMBL17292670 0.78 HSD17B10 (0.47)
SCHEMBL16134720 0.77 KDM4E (0.43) CYP2C9
SCHEMBL8304476 0.75 CACNA1B (0.40) MAOBCYP2C9
SCHEMBL4825992 0.74 CYP3A4 (0.54) MAOAMAOBCYP2C9
SCHEMBL10267514 0.74 MAOA (0.45) SLC6A2SLC6A4PARP15PARP10HTR3A
SCHEMBL916531 0.73 ALDH1A1 (0.48) CYP2C9
SCHEMBL10485069 0.72 PDE5A (0.40) KCNH2PDE4APDE4D
SCHEMBL7409754 0.72 F10 (0.54) CHEK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP claimed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP claimed
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP disclosed
US-4753955-A ANTIULCER TOKYO TANABE COMPANY, LTD. (JP) 1988-06-28 US disclosed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP disclosed