SCHEMBL28801377

SCHEMBL28801377

CN1CCCCC1CCn1cc(C(=O)N2CCC(c3cc(CNC(=O)CF)ccc3F)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 1/20 0.42
TPSAB1 Q15661 4/20 0.42
ADRA2A P08913 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 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
SCHEMBL2039555 0.91 TPSAB1 (0.46) CNR1CNR2TPSAB1HCRTR1HCRTR2
SCHEMBL12695203 0.89 TPSAB1 (0.53) CNR1CNR2TPSAB1
Hydrochloric Acid SCHEMBL12543739 0.88 TPSAB1 (0.52) CNR1CNR2TPSAB1
SCHEMBL28801378 0.86 CNR1 (0.46) CNR1CNR2TPSAB1HCRTR1HCRTR2
SCHEMBL27893694 0.85 TPSAB1 (0.45) CNR1TPSAB1
SCHEMBL27893609 0.83 TPSAB1 (0.48) CNR1TPSAB1
SCHEMBL27876894 0.83 CNR1 (0.45) CNR1CNR2TPSAB1
SCHEMBL2037618 0.80 TPSAB1 (0.48) CNR1TPSAB1
SCHEMBL12276483 0.79 TPSAB1 (0.46) CNR1TPSAB1
SCHEMBL12643116 0.78 TPSAB1 (0.48) CNR1CNR2TPSAB1

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