SCHEMBL28801378

SCHEMBL28801378

CC(=O)N(F)Cc1ccc(F)c(C2CCN(C(=O)c3cn(CCC4CCCCN4C)c4ccccc34)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 1/20 0.43
TPSAB1 Q15661 4/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12695203 0.89 TPSAB1 (0.53) CNR1CNR2TPSAB1
Hydrochloric Acid SCHEMBL12543739 0.89 TPSAB1 (0.52) CNR1CNR2TPSAB1
SCHEMBL28801377 0.86 CNR1 (0.43) CNR1CNR2TPSAB1HCRTR1HCRTR2
SCHEMBL27893697 0.86 TPSAB1 (0.45) CNR1TPSAB1ALDH1A1SMN1; SMN2
SCHEMBL2039555 0.85 TPSAB1 (0.46) CNR1CNR2TPSAB1HCRTR1HCRTR2
SCHEMBL27876897 0.84 CNR1 (0.47) CNR1CNR2TPSAB1ALDH1A1SMN1; SMN2
SCHEMBL27893612 0.84 TPSAB1 (0.49) CNR1TPSAB1ALDH1A1SMN1; SMN2
SCHEMBL27876933 0.79 TPSAB1 (0.40) TPSAB1
SCHEMBL12695168 0.79 TPSAB1 (0.55) CNR1TPSAB1
Hydrochloric Acid SCHEMBL2052547 0.78 TPSAB1 (0.55) CNR1TPSAB1

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-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed