SCHEMBL2850252

SCHEMBL2850252

O=C(NCCc1c(Cl)cccc1Cl)Oc1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
MALT1 Q9UDY8 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR1 P21554 1/20 0.32
P2RX7 Q99572 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
FAAH O00519 3/20 0.32
DRD3 P35462 2/20 0.32

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
SCHEMBL2860303 0.89 TRPV1 (0.39) TRPV1MALT1LMNAGAAHPGD
SCHEMBL2859504 0.88 TAAR1 (0.43) TRPV1LMNACNR1
SCHEMBL2854467 0.87 MAPT (0.36) TRPV1LMNAGAACNR1P2RX7
SCHEMBL2854705 0.86 ALDH1A1 (0.46) TRPV1KEAP1NFE2L2LMNAHPGD
SCHEMBL2857979 0.86 TRPV1 (0.39) TRPV1CNR1SCN9ARXFP1KDM4E
SCHEMBL2858618 0.85 ALDH1A1 (0.41) TRPV1LMNACNR1P2RX7KDM4E
SCHEMBL2853186 0.85 TRPV1 (0.41) TRPV1MALT1LMNAGAAHPGD
SCHEMBL2854496 0.85 P2RX7 (0.47) TRPV1P2RX7KDM4EALDH1A1
SCHEMBL2848315 0.82 TRPV1 (0.54) TRPV1P2RX7KDM4EALDH1A1DHODH
SCHEMBL2853347 0.81 TRPV1 (0.41) TRPV1HPGDFAAHALDH1A1

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