SCHEMBL2862833

SCHEMBL2862833

O=C(NCCc1c(Cl)cccc1Cl)Oc1cnn(-c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
GCGR P47871 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GRM4 Q14833 1/20 0.34
ALKBH1 Q13686 1/20 0.34
ABCB11 O95342 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2852542 0.91 GCGR (0.45) NOTUMTRPV1TAAR1GCGRFAAH
SCHEMBL2856396 0.89 TAAR1 (0.46) TRPV1TAAR1GCGRHDAC3HDAC1
SCHEMBL2853269 0.88 GCGR (0.41) TRPV1TAAR1GCGRHDAC3HDAC1
SCHEMBL2857726 0.88 TRPV1 (0.40) TRPV1TAAR1GCGRHDAC3HDAC1
SCHEMBL2852169 0.88 TRPV1 (0.38) TRPV1TAAR1GCGRFAAHMGLL
SCHEMBL2859081 0.87 TAAR1 (0.45) TRPV1TAAR1GCGRFAAHMGLL
SCHEMBL2860245 0.87 NPC1 (0.46) TRPV1TAAR1GCGRNPC1RAB9A
SCHEMBL2858437 0.84 TAAR1 (0.42) TRPV1TAAR1FAAHHDAC3HDAC1
SCHEMBL2856221 0.79 TAAR1 (0.49) TRPV1TAAR1GCGRFAAHMGLL
SCHEMBL2850489 0.77 TAAR1 (0.53) TRPV1TAAR1NPC1RAB9AALDH1A1

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