SCHEMBL2855322

SCHEMBL2855322

O=C(NCCc1ccc(Cl)cc1Cl)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
CNR1 P21554 3/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.38
LMNA P02545 2/20 0.38
CCR1 P32246 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
SCHEMBL2853184 0.95 P2RX7 (0.54) P2RX7TRPV1CNR1KMT2AALDH1A1
SCHEMBL2854707 0.95 P2RX7 (0.45) P2RX7TRPV1CNR1KMT2AALDH1A1
SCHEMBL2854809 0.94 HPGD (0.45) P2RX7TRPV1CNR1KMT2AALDH1A1
SCHEMBL2857987 0.90 CNR1 (0.43) P2RX7TRPV1CNR1ALDH1A1KDM4E
SCHEMBL2858267 0.87 MAPT (0.41) P2RX7ALDH1A1MAPTCCR1
SCHEMBL2860669 0.87 TAAR1 (0.46) P2RX7CNR1ALDH1A1KDM4EMAPT
SCHEMBL2853354 0.86 P2RX7 (0.63) P2RX7TRPV1EPHX2LMNA
SCHEMBL2858012 0.86 CNR1 (0.46) P2RX7TRPV1CNR1ALDH1A1KDM4E
SCHEMBL2853462 0.86 TRPV1 (0.42) P2RX7TRPV1CNR1MAPTCCR1
SCHEMBL2852505 0.86 ABCB1 (0.48) TRPV1CNR1KMT2AALDH1A1MEN1

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