SCHEMBL2854517

SCHEMBL2854517

Cc1ccccc1CCNC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CCR1 P32246 2/20 0.40
RXFP1 Q9HBX9 2/20 0.39
CNR1 P21554 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC2A1 P11166 1/20 0.38
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPC3 Q13507 2/20 0.37
TRPC1 P48995 1/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
STIM2 Q9P246 1/20 0.37
TP53 P04637 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
SCHEMBL2860131 0.92 ALDH1A1 (0.46) MAPTRXFP1KDM4EALDH1A1NPSR1
SCHEMBL2856750 0.92 P2RX7 (0.42) MAPTCCR1RXFP1KDM4EALDH1A1
SCHEMBL2857987 0.91 CNR1 (0.43) MAPTCCR1RXFP1CNR1KDM4E
SCHEMBL2859365 0.90 CNR1 (0.49) MAPTCNR1KDM4EALDH1A1TAAR1
SCHEMBL2858012 0.90 CNR1 (0.46) MAPTCCR1RXFP1CNR1KDM4E
SCHEMBL2858267 0.89 MAPT (0.41) MAPTCCR1ALDH1A1HSP90AA1NPSR1
SCHEMBL2855547 0.87 TAAR1 (0.54) MAPTCCR1CNR1KDM4EALDH1A1
SCHEMBL2860669 0.85 TAAR1 (0.46) MAPTCCR1CNR1KDM4EALDH1A1
SCHEMBL2855322 0.85 P2RX7 (0.47) MAPTCCR1CNR1KDM4EALDH1A1
SCHEMBL2859861 0.85 TAAR1 (0.51) MAPTCNR1KDM4EALDH1A1NPSR1

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