SCHEMBL13613652

SCHEMBL13613652

CCOC(=O)Cc1ccc(NC(=O)Nc2cccc3c2CC(O)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.53
TP53 P04637 3/20 0.47
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13613596 0.86 TRPV1 (0.55) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL13613705 0.84 TRPV1 (0.56) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL13613697 0.83 TRPV1 (0.62) TRPV1
SCHEMBL4339136 0.80 TRPV1 (0.55) TRPV1TP53MAPTLMNASMN1; SMN2
SCHEMBL13613591 0.80 TRPV1 (0.59) TRPV1TP53MAPTSMN1; SMN2
SCHEMBL24192057 0.80 TRPV1 (0.50) TRPV1LMNA
SCHEMBL13613710 0.80 TRPV1 (0.64) TRPV1
SCHEMBL13613655 0.80 TRPV1 (0.56) TRPV1MAPTLMNA
SCHEMBL13613593 0.80 TRPV1 (0.52) TRPV1LMNASMN1; SMN2
SCHEMBL13613669 0.80 TRPV1 (0.56) TRPV1MAPTLMNA

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