SCHEMBL13613707

SCHEMBL13613707

COc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.61
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
NAMPT P43490 1/20 0.43

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
SCHEMBL13613708 0.91 TRPV1 (0.62) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13613704 0.89 TRPV1 (0.60) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13613709 0.88 TRPV1 (0.67) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13613714 0.85 TRPV1 (0.64) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL13613590 0.83 TRPV1 (0.60) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13613591 0.83 TRPV1 (0.59) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL13613618 0.82 TRPV1 (0.58) TRPV1MEN1KMT2AALDH1A1RAB9A
SCHEMBL13613692 0.82 TRPV1 (0.66) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL13613600 0.82 TRPV1 (0.66) TRPV1RAB9ANPC1SMN1; SMN2
SCHEMBL2734766 0.81 TRPV1 (0.51) TRPV1MEN1KMT2AALDH1A1RAB9A

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