SCHEMBL2857726

SCHEMBL2857726

O=C(NCCc1c(Cl)cccc1Cl)Oc1cnn(-c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
ALKBH1 Q13686 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CNR1 P21554 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
PRMT5 O14744 1/20 0.36
KMT2A Q03164 2/20 0.35
UBE2N P61088 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GCGR P47871 1/20 0.35
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2856396 0.92 TAAR1 (0.46) TRPV1TAAR1CNR1MAPTKMT2A
SCHEMBL2853269 0.90 GCGR (0.41) TRPV1TAAR1LMNAMAPTKMT2A
SCHEMBL2852169 0.90 TRPV1 (0.38) TRPV1ALKBH1TAAR1CNR1LMNA
SCHEMBL2860245 0.89 NPC1 (0.46) TRPV1TAAR1MAPTKMT2AGCGR
SCHEMBL2862833 0.88 NOTUM (0.38) TRPV1ALKBH1TAAR1CNR1HDAC3
SCHEMBL2852542 0.86 GCGR (0.45) TRPV1TAAR1PRMT5GCGR
SCHEMBL2858248 0.85 TAAR1 (0.45) TRPV1TAAR1CNR1KMT2AMEN1
SCHEMBL2858437 0.84 TAAR1 (0.42) TRPV1ALKBH1TAAR1CNR1LMNA
SCHEMBL2850489 0.77 TAAR1 (0.53) TRPV1ALKBH1TAAR1CNR1MAPT
SCHEMBL2852329 0.77 TAAR1 (0.49) TRPV1TAAR1MAPTKMT2APOLB

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