SCHEMBL9205909

SCHEMBL9205909

Cc1cc(N(C)C(=O)C(C#N)C(=O)C2CC2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
POLQ O75417 12/20 0.35
S1PR1 P21453 2/20 0.35
PDK2 Q15119 1/20 0.32
TACR1 P25103 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL9198607 0.83 MAPT (0.36)
SCHEMBL7180799 0.76 IDO1 (0.40) AR
SCHEMBL8201118 0.76 CHRNB2 (0.39) PDK2GPBAR1
SCHEMBL9204753 0.76 CHRNB2 (0.44) PGRPDK2GPBAR1
SCHEMBL3954105 0.68 DHODH (0.37)
SCHEMBL1224926 0.68 AR (0.31) AR
SCHEMBL17100731 0.68 DHODH (0.42) ARS1PR1
SCHEMBL9638607 0.67 ALDH1A1 (0.31)
SCHEMBL8606823 0.65 AR (0.37) ARNOTUM
SCHEMBL8607171 0.64 CACNA1B (0.43)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484223-B1 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 US disclosed
US-5240960-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1993-08-31 US disclosed
EP-0484223-A2 3-Cycloalkylpropanamides, their tautomers and salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1992-05-06 EP disclosed