SCHEMBL8533206

SCHEMBL8533206

COc1cc(C(=O)O)ccc1C(C)c1c[nH]c2ccc(C(=O)NCC(C)CC(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.51
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL9293943 1.00 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533704 0.93 TRPV1 (0.54) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8427410 0.87 TRPV1 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8532835 0.85
SCHEMBL159361 0.85
SCHEMBL8427434 0.84 TRPV1 (0.45) TRPV1MEN1KMT2A
SCHEMBL8536466 0.83 CA12 (0.47) TRPV1MTNR1AMTNR1B
SCHEMBL9669803 0.83 KMT2A (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533902 0.80 GPR84 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533040 0.80 GPR84 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP claimed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US claimed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP claimed
JP-7070061-A None JP disclosed
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
JP-H0770061-A CARBAMOYL DERIVATIVE ZENECA LTD 1995-03-14 JP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed