SCHEMBL13613605

SCHEMBL13613605

CN(C)c1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.59
MAPT P10636 4/20 0.52
RAB9A P51151 4/20 0.52
NOX1 Q9Y5S8 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2733674 0.89 TRPV1 (0.55) TRPV1MAPTRAB9ANOX1MEN1
SCHEMBL13613697 0.87 TRPV1 (0.62) TRPV1RAB9ANPC1
SCHEMBL13613710 0.86 TRPV1 (0.64) TRPV1
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL13613653 0.85 TRPV1 (0.51) TRPV1TP53
SCHEMBL13613600 0.85 TRPV1 (0.66) TRPV1RAB9ANPC1SMN1; SMN2
SCHEMBL4341397 0.85 TRPV1 (0.69) TRPV1MAPTRAB9AMEN1KMT2A
SCHEMBL13613602 0.85 TRPV1 (0.62) TRPV1MAPTRAB9AMEN1KMT2A
SCHEMBL13613591 0.84 TRPV1 (0.59) TRPV1MAPTRAB9AMEN1KMT2A
SCHEMBL13613706 0.84 TRPV1 (0.59) TRPV1MAPTRAB9ANOX1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed