SCHEMBL2852080

SCHEMBL2852080

CC(C)c1cccc(C(C)C)c1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
MAPT P10636 3/20 0.40
LPAR1 Q92633 1/20 0.40
RIPK1 Q13546 1/20 0.38
GPR6 P46095 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NLRP3 Q96P20 1/20 0.36
TRPC1 P48995 1/20 0.36
TRPC3 Q13507 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
STIM2 Q9P246 1/20 0.36
ACHE P22303 1/20 0.36
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2852314 0.94 CCR1 (0.44) CCR1MAPTLPAR1RIPK1GPR6
SCHEMBL2857074 0.89 LPAR1 (0.42) CCR1MAPTLPAR1GPR6SMN1; SMN2
SCHEMBL2858515 0.87 MAPT (0.44) CCR1MAPTRIPK1GPR6SMN1; SMN2
SCHEMBL2857241 0.85 MAPT (0.44) CCR1MAPTGPR6SMN1; SMN2POLB
SCHEMBL2859102 0.84 MAPT (0.45) MAPTSMN1; SMN2TRPC1TRPC3STIM1
SCHEMBL2850694 0.83 MAPT (0.41) CCR1MAPTGPR6SMN1; SMN2POLB
SCHEMBL2852244 0.82 MAPT (0.48) MAPTGPR6SMN1; SMN2POLBTRPC1
SCHEMBL2858283 0.82 MAPT (0.43) CCR1MAPTGPR6SMN1; SMN2POLB
SCHEMBL2856949 0.82 LPAR1 (0.48) CCR1MAPTLPAR1SMN1; SMN2POLB
SCHEMBL2860489 0.82 RXFP1 (0.45) CCR1MAPTSMN1; SMN2POLBNLRP3

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed