SCHEMBL9409503

SCHEMBL9409503

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
CCR1 P32246 4/20 0.39
NAMPT P43490 2/20 0.37
P2RY14 Q15391 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
KDM1A O60341 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR88 Q9GZN0 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
SCHEMBL9409591 0.85 HRH3 (0.41) HRH3CCR1NAMPTP2RY14KDM1A
SCHEMBL9409512 0.84 FFAR1 (0.42) HRH3NAMPTKDM4EMAPTMAPK1
SCHEMBL9409592 0.81 CYP4Z1 (0.39) HRH3CCR1NAMPTP2RY14EPHX2
Hydrochloric Acid SCHEMBL27412437 0.79 USP25 (0.39) HRH3EPHX2GPR88
Hydrochloric Acid SCHEMBL7511725 0.76 KDM1A (0.43) NAMPTP2RY14TLR9TLR8TLR7
SCHEMBL25030059 0.76 NAMPT (0.54) HRH3NAMPTKDM4EMAPT
SCHEMBL10243175 0.75 MAPT (0.50) NAMPTP2RY14MAPTTLR9TLR8
SCHEMBL7518442 0.74 P2RY14 (0.43) CCR1NAMPTP2RY14MAPTTLR9
SCHEMBL2414763 0.72 P2RY14 (0.44) NAMPTP2RY14MAPTTLR9TLR8
SCHEMBL2452371 0.70 KDM1A (0.48) NAMPTP2RY14TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1094035-A Carboxylic acid derivative contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-26 CN disclosed
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