SCHEMBL2853063

SCHEMBL2853063

O=C(NCCc1ccccc1Cl)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.48
ABCB11 O95342 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CCR1 P32246 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR3C1 P04150 1/20 0.39
MAPT P10636 2/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RIPK1 Q13546 1/20 0.38

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
SCHEMBL2857987 0.93 CNR1 (0.43) P2RX7ABCB11TRPV1CCR1RXFP1
SCHEMBL2856697 0.93 KDM4E (0.46) P2RX7ABCB11TRPV1RXFP1KDM4E
SCHEMBL2854563 0.90 P2RX7 (0.57) P2RX7CCR1KDM4EALDH1A1NR3C1
SCHEMBL2848513 0.90 P2RX7 (0.43) P2RX7TRPV1CCR1KDM4EALDH1A1
SCHEMBL2854496 0.90 P2RX7 (0.47) P2RX7TRPV1CCR1KDM4EALDH1A1
SCHEMBL2853184 0.89 P2RX7 (0.54) P2RX7TRPV1KDM4EALDH1A1
SCHEMBL2856750 0.89 P2RX7 (0.42) P2RX7CCR1RXFP1KDM4EALDH1A1
SCHEMBL2858012 0.87 CNR1 (0.46) P2RX7TRPV1CCR1RXFP1KDM4E
SCHEMBL2854346 0.86 MAPT (0.52) P2RX7CCR1RXFP1KDM4EALDH1A1
SCHEMBL2859365 0.85 CNR1 (0.49) P2RX7KDM4EALDH1A1MAPTSMN1; SMN2

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