SCHEMBL2858012

SCHEMBL2858012

O=C(NCCc1ccccc1F)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
TAAR1 Q96RJ0 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
HIF1A Q16665 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2848513 0.92 P2RX7 (0.43) MAPK1P2RX7TRPV1ALDH1A1KDM4E
SCHEMBL2857936 0.92 KDM4E (0.47) MAPK1TRPV1ALDH1A1KDM4EMAPT
SCHEMBL2857987 0.91 CNR1 (0.43) CNR1TAAR1P2RX7TRPV1ALDH1A1
SCHEMBL2854517 0.90 MAPT (0.42) CNR1TAAR1P2RX7ALDH1A1KDM4E
SCHEMBL2859365 0.89 CNR1 (0.49) CNR1TAAR1P2RX7ALDH1A1KDM4E
SCHEMBL2855547 0.87 TAAR1 (0.54) CNR1TAAR1P2RX7ALDH1A1KDM4E
SCHEMBL2853063 0.87 P2RX7 (0.48) P2RX7TRPV1ALDH1A1KDM4EMAPT
SCHEMBL2860669 0.86 TAAR1 (0.46) CNR1TAAR1P2RX7ALDH1A1KDM4E
SCHEMBL2855322 0.86 P2RX7 (0.47) CNR1P2RX7TRPV1ALDH1A1KDM4E
SCHEMBL2856697 0.85 KDM4E (0.46) CNR1P2RX7TRPV1ALDH1A1KDM4E

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