SCHEMBL9409592

SCHEMBL9409592

COC(=O)CCc1ccc(N=Cc2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CCR1 P32246 4/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
P2RY14 Q15391 1/20 0.34
CYP4F11 Q9HBI6 1/20 0.33
CYP4F12 Q9HCS2 1/20 0.33
NAMPT P43490 2/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL9409591 0.82 HRH3 (0.41) HRH3CCR1P2RY14NAMPTEPHX2
SCHEMBL9409512 0.81 FFAR1 (0.42) HRH3CA1CA2NAMPTEPHX2
SCHEMBL9409503 0.81 HRH3 (0.40) HRH3CCR1P2RY14NAMPTEPHX2
SCHEMBL25030059 0.73 NAMPT (0.54) HRH3NAMPT
SCHEMBL10243175 0.72 MAPT (0.50) P2RY14NAMPTEPHX2
SCHEMBL7518442 0.72 P2RY14 (0.43) CCR1P2RY14NAMPTEPHX2
Hydrochloric Acid SCHEMBL7511725 0.71 KDM1A (0.43) P2RY14NAMPTEPHX2
SCHEMBL571076 0.70 P2RY14 (0.45) P2RY14NAMPTEPHX2
SCHEMBL2414763 0.69 P2RY14 (0.44) P2RY14NAMPTEPHX2
SCHEMBL20705482 0.67 RAB9A (0.50) CCR1P2RY14NAMPT

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
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed