SCHEMBL28067029

SCHEMBL28067029

Nc1ccc(OCC2CCCCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.53
PARP15 Q460N3 6/20 0.53
MCHR1 Q99705 3/20 0.50
PARP2 Q9UGN5 1/20 0.46
NFE2L2 Q16236 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL31132814 0.95 PARP10 (0.51) PARP10PARP15MCHR1PARP2ALOX5AP
SCHEMBL9111641 0.91 PARP15 (0.49) PARP10PARP15MCHR1PARP2
SCHEMBL20758864 0.81 CXCR1 (0.46) MAOAMAOB
SCHEMBL23634067 0.80 F10 (0.41)
SCHEMBL30402550 0.80 MCHR1 (0.40) MCHR1
SCHEMBL20038304 0.80 PARP10 (0.49) PARP10PARP15PARP2MAOAMAOB
SCHEMBL1564278 0.80 CHRNB2 (0.58) PARP10PARP15MAOAMAOB
SCHEMBL18706934 0.80 CHRNB2 (0.57) PARP10PARP15PARP2MAOAMAOB
SCHEMBL18291072 0.80 SLC6A2 (0.40)
SCHEMBL29015213 0.80 MCHR1 (0.40) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103608347-B Imidazopyridine ASTELLAS PHARMA INC. (JP) 2016-04-27 CN disclosed