SCHEMBL3058

SCHEMBL3058

CCOC(=O)[C@@H]1CCCC[C@@H]1N(C)c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
NR1H4 Q96RI1 9/20 0.40
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR2 Q92731 1/20 0.37
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL7278162 0.84 OXTR (0.40) OXTRAVPR1ANR1H4GPR119ALDH1A1
SCHEMBL2934 0.82 GPR119 (0.43) OXTRAVPR1ANR1H4GPR119ALDH1A1
SCHEMBL2261 0.81 NR1H4 (0.41) OXTRAVPR1ANR1H4GPR119ALDH1A1
SCHEMBL2307 0.80 LTB4R2 (0.54) OXTRAVPR1ANR1H4FFAR1AKR1B1
SCHEMBL2306 0.80 LTB4R2 (0.54) OXTRAVPR1ANR1H4FFAR1AKR1B1
SCHEMBL3057 0.77 CTSB (0.43) OXTRAVPR1AFFAR1AKR1B1SRC
SCHEMBL3059 0.77 CTSB (0.43) OXTRAVPR1AFFAR1AKR1B1SRC
SCHEMBL7276526 0.77 GPR119 (0.42) OXTRAVPR1ANR1H4GPR119ALDH1A1
SCHEMBL2104 0.73 NLRP3 (0.43) OXTRAVPR1AALDH1A1GAAL3MBTL1
SCHEMBL2604 0.70 NLRP3 (0.41) OXTRAVPR1ANR1H4ALDH1A1GAA

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed