SCHEMBL13613685

SCHEMBL13613685

O=C(NCCc1ccc(Cl)cc1)Nc1cccc2c1C[C@@H](O)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
CNR1 P21554 6/20 0.49
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4344935 1.00 TRPV1 (0.52) TRPV1KMT2AMEN1LMNACYP1A2
SCHEMBL13613682 1.00 TRPV1 (0.52) TRPV1KMT2AMEN1LMNACYP1A2
SCHEMBL13613615 0.90 TRPV1 (0.57) TRPV1
SCHEMBL13613629 0.89 TRPV1 (0.53) TRPV1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL4336906 0.87 TRPV1 (0.54) TRPV1CNR1
SCHEMBL13627960 0.85 TRPV1 (0.46) TRPV1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4340575 0.84 TRPV1 (0.54) TRPV1CNR1
SCHEMBL4341397 0.82 TRPV1 (0.69) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL13613635 0.81 TRPV1 (0.54) TRPV1
SCHEMBL14278339 0.80 TRPV1 (0.53) TRPV1KMT2AMEN1LMNAALDH1A1

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 3 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
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed