SCHEMBL13712656

SCHEMBL13712656

CC1CNc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.61
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
ROCK2 O75116 4/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
MCHR1 Q99705 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL13676016 0.88 TRPV1 (0.59) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676024 0.88 TRPV1 (0.59) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676276 0.87 TRPV1 (0.58) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676002 0.87 TRPV1 (0.57) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676032 0.87 TRPV1 (0.57) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676042 0.86 TRPV1 (0.56) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676143 0.86 TRPV1 (0.56) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676022 0.86 TRPV1 (0.56) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676035 0.84 TRPV1 (0.55) TRPV1ALDH1A1TSHRNPC1RAB9A
SCHEMBL13676009 0.82 TRPV1 (0.73) TRPV1ALDH1A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed