SCHEMBL8108314

SCHEMBL8108314

COC1[C]c2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.44
ADRA2A P08913 7/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL3706148 0.73 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL7462280 0.69 PNMT (0.40) PNMTADRA2AADRA2BADRA2CHTT
SCHEMBL27492215 0.68 PNMT (0.68) PNMTADRA2AADRA2BADRA2C
SCHEMBL7462285 0.67 ALDH1A1 (0.43) PNMTADRA2AADRA2BADRA2CHTT
SCHEMBL7466993 0.66 PNMT (0.46) PNMTADRA2AADRA2BADRA2CTDP1
SCHEMBL2728205 0.65 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.65 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL4551781 0.65 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL1640125 0.65 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL30561524 0.65 PNMT (0.56) PNMTADRA2AADRA2BADRA2C

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
US-6136826-A AMINOPIPERIDINE COMPOUNDS SUBSTITUTED WITH ALKANOYL OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed