SCHEMBL10370283

SCHEMBL10370283

Nc1nn(CCCCCCN2CCCCC2)c2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
ESR2 Q92731 1/20 0.49
BCHE P06276 2/20 0.40
CNR2 P34972 2/20 0.40
ACHE P22303 2/20 0.40
CNR1 P21554 1/20 0.39
HTR7 P34969 1/20 0.38
XDH P47989 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10368046 0.96 ESR1 (0.45) ESR1ESR2BCHECNR2CNR1
SCHEMBL10367554 0.96 ESR1 (0.45) ESR1ESR2BCHECNR2CNR1
SCHEMBL10369154 0.95 ESR1 (0.46) ESR1ESR2BCHECNR2ACHE
SCHEMBL10368940 0.85 HRH3 (0.46) BCHEACHEHRH3
SCHEMBL10370351 0.85 WEE1 (0.46) ESR1ESR2HTR7XDH
SCHEMBL10369107 0.84 CNR2 (0.43) ESR1CNR2CNR1
SCHEMBL10370342 0.83 ESR1 (0.39) ESR1ESR2CNR2ACHEHRH3
SCHEMBL10368895 0.82 CNR2 (0.36) ESR1ESR2CNR2HRH3
SCHEMBL10832212 0.82 HTR7 (0.50) BCHECNR2CNR1HTR7HRH3
SCHEMBL10368866 0.81 TMEM97 (0.44) BCHEACHEHRH3

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-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed