SCHEMBL9828524

SCHEMBL9828524

Nc1ccc(OCC2CC2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.50
PARP15 Q460N3 9/20 0.50
PARP2 Q9UGN5 2/20 0.50
NR4A1 P22736 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR3A P46098 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL10267513 0.91 PARP10 (0.54) PARP10PARP15
SCHEMBL20982652 0.87 PARP10 (0.41) PARP10PARP15PARP2NR4A1SLC6A2
SCHEMBL20982651 0.87 PARP10 (0.41) PARP10PARP15PARP2NR4A1SLC6A2
SCHEMBL20982684 0.85 MAOA (0.52) KCNH2
SCHEMBL2566669 0.84 PARP10 (0.55) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL1850715 0.84 PARP10 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL9227709 0.84 PARP10 (0.51) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL12432327 0.84 PARP10 (0.46) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL27037870 0.84 PARP10 (0.50) PARP10PARP15PARP2SLC6A2SLC6A4
SCHEMBL21694044 0.82 PARP10 (0.42) PARP10PARP15PARP2SLC6A2SLC6A4

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 3 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 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