SCHEMBL10598552

SCHEMBL10598552

COCn1cc(C(=O)NC2CC2)c(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.63
CNR1 P21554 6/20 0.63
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL10597498 0.95 CNR2 (0.70) CNR2CNR1ALDH1A1
Terbequinil SCHEMBL195149 0.82 ALDH1A1 (0.62) CNR2CNR1ALDH1A1
SCHEMBL10597401 0.82 ALDH1A1 (0.58) CNR2CNR1ALDH1A1
SCHEMBL9027784 0.80 HTR3A (0.59) CNR2CNR1ALDH1A1
SCHEMBL16341854 0.78 CNR1 (0.80) CNR2CNR1
SCHEMBL22416053 0.78 CNR1 (0.74) CNR2CNR1ALDH1A1
SCHEMBL22416268 0.78 CNR1 (0.74) CNR2CNR1ALDH1A1
SCHEMBL16691693 0.77 CNR1 (1.00) CNR2CNR1
SCHEMBL16691702 0.77 CNR1 (1.00) CNR2CNR1
SCHEMBL26054012 0.77 CNR2 (0.55) CNR2CNR1ALDH1A1

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-4835163-A N-alkoxyalkyl derivatives of quinolone carboxamides SANOFI (FR) 1989-05-30 US disclosed