SCHEMBL9409591

SCHEMBL9409591

COC(=O)CCc1ccc(C(=N)c2ccc(C3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
CCR1 P32246 5/20 0.39
P2RY14 Q15391 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MCHR1 Q99705 1/20 0.37
RBP4 P02753 1/20 0.36
KDM1A O60341 1/20 0.35
NAMPT P43490 2/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL9409503 0.85 HRH3 (0.40) HRH3CCR1P2RY14KDM1ANAMPT
SCHEMBL9409512 0.85 FFAR1 (0.42) HRH3NAMPTEPHX2
SCHEMBL9409592 0.82 CYP4Z1 (0.39) HRH3CCR1P2RY14NAMPTEPHX2
SCHEMBL25030059 0.76 NAMPT (0.54) HRH3NAMPT
SCHEMBL10243175 0.76 MAPT (0.50) P2RY14KDM1ANAMPTEPHX2
SCHEMBL7518442 0.75 P2RY14 (0.43) CCR1P2RY14RBP4KDM1ANAMPT
Hydrochloric Acid SCHEMBL7511725 0.74 KDM1A (0.43) P2RY14RBP4KDM1ANAMPTEPHX2
SCHEMBL9409547 0.73 NAMPT (0.56) KDM1ANAMPTLMNA
SCHEMBL2414763 0.72 P2RY14 (0.44) P2RY14RBP4KDM1ANAMPTEPHX2
SCHEMBL15254117 0.72 P2RY14 (0.56) CCR1P2RY14RBP4KDM1ANAMPT

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