SCHEMBL8427434

SCHEMBL8427434

COc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(C(=O)NCC(C)CC(F)(F)F)cc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.45
CPT1A P50416 1/20 0.44
CPT1B Q92523 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8427078 0.88 GPR84 (0.46) TRPV1CYSLTR2CYSLTR1GPR84MEN1
SCHEMBL8422975 0.86 SNCA (0.46) TRPV1
SCHEMBL8533206 0.84 TRPV1 (0.51) TRPV1MEN1KMT2A
SCHEMBL9293943 0.84 TRPV1 (0.51) TRPV1MEN1KMT2A
SCHEMBL9293941 0.82
SCHEMBL8532662 0.82
SCHEMBL8427410 0.79 TRPV1 (0.46) TRPV1MEN1KMT2A
SCHEMBL8427130 0.79 GPR84 (0.67) CPT1ACPT1BCYSLTR2CYSLTR1GPR84
SCHEMBL4773611 0.79
SCHEMBL8423638 0.78

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-0863873-B1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER (US) 1999-11-10 EP disclosed
US-5965745-A ASTHMA; ANTIARTHRITIC,-SHOCK AGENTS; BRONCHITIS; RESPIRATORY SYSTEM DISEASES, E.G. CHRONIC OBSTRUCTIVE AIRWAYS DISEASES; PSORIASIS; ALLERGIC RHINITIS; ATOPIC DERMATITIS PFIZER INC (US) 1999-10-12 US disclosed
EP-0863873-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1998-09-16 EP disclosed
WO-1997013751-A1 INDOLE CARBAMATES AS LEUKOTRIENE ANTAGONISTS PFIZER INC. (US) 1997-04-17 WO disclosed