SCHEMBL8427410

SCHEMBL8427410

CCN(CC)C(=O)C(c1ccc(C(=O)O)cc1OC)c1c[nH]c2ccc(C(=O)NCC(C)CC(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
SMPD1 P17405 1/20 0.35

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 0.87 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9293943 0.87 TRPV1 (0.51) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8533704 0.81 TRPV1 (0.54) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8427317 0.79 TLR8 (0.37) TRPV1TLR9TLR8TLR7ROCK2
SCHEMBL8427434 0.79 TRPV1 (0.45) TRPV1MEN1KMT2A
SCHEMBL159361 0.74
SCHEMBL8532835 0.74
SCHEMBL9669803 0.73 KMT2A (0.46) TRPV1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8423638 0.72
SCHEMBL8422975 0.72 SNCA (0.46) TRPV1

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 2 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