SCHEMBL13613690

SCHEMBL13613690

O=C(Nc1ccccc1F)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
KMT2A Q03164 1/20 0.48

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
SCHEMBL4336612 0.86 TRPV1 (0.64) TRPV1
SCHEMBL13613600 0.85 TRPV1 (0.66) TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL13613610 0.85 TRPV1 (0.53) TRPV1RAB9AKMT2A
SCHEMBL13613696 0.85 TRPV1 (0.59) TRPV1
SCHEMBL13613588 0.85 TRPV1 (0.65) TRPV1NPC1RAB9ATAS1R3TAS1R1
SCHEMBL13613693 0.85 TRPV1 (0.59) TRPV1NPC1RAB9AKMT2A
SCHEMBL4336879 0.84 TRPV1 (0.52) TRPV1
SCHEMBL4336802 0.84 TRPV1 (0.70) TRPV1KMT2A
SCHEMBL4341558 0.84 TRPV1 (0.58) TRPV1SMN1; SMN2KMT2A
SCHEMBL14433966 0.83 RAB9A (0.49) TRPV1NPC1RAB9ASMN1; SMN2NPSR1

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