SCHEMBL2856750

SCHEMBL2856750

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
CCR1 P32246 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C1 P04150 2/20 0.37
LMNA P02545 1/20 0.37
PPARD Q03181 1/20 0.37

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 0.93 ALDH1A1 (0.46) RXFP1KDM4EALDH1A1MAPTPOLB
SCHEMBL2854517 0.92 MAPT (0.42) P2RX7CCR1RXFP1KDM4EALDH1A1
SCHEMBL2848513 0.90 P2RX7 (0.43) P2RX7CCR1KDM4EALDH1A1MAPT
SCHEMBL2857875 0.89 P2RX7 (0.45) P2RX7CCR1KDM4EALDH1A1MAPT
SCHEMBL2853063 0.89 P2RX7 (0.48) P2RX7CCR1RXFP1KDM4EALDH1A1
SCHEMBL2854346 0.86 MAPT (0.52) P2RX7CCR1RXFP1KDM4EALDH1A1
SCHEMBL2863154 0.85 MAPT (0.45) P2RX7CCR1KDM4EALDH1A1MAPT
SCHEMBL2854716 0.85 MTNR1A (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2857936 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2856562 0.84 MAPT (0.48) P2RX7KDM4EALDH1A1MAPTPOLB

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