SCHEMBL8533704

SCHEMBL8533704

COC(=O)c1ccc(C(C)c2c[nH]c3ccc(C(=O)NCC(C)CC(F)(F)F)cc23)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.54
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 1/20 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
SCHEMBL8533206 0.93 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9293943 0.93 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8532835 0.85
SCHEMBL159361 0.85
SCHEMBL8532689 0.84 GPR84 (0.49) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9669643 0.83 KMT2A (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8427410 0.81 TRPV1 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533040 0.80 GPR84 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533902 0.80 GPR84 (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9669804 0.80 TDP1 (0.48) TRPV1MEN1KMT2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP 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