SCHEMBL2100

SCHEMBL2100

CCCCC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)C1CCC(C(=O)OCC)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.55
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
AGTR1 P30556 3/20 0.40
GPR119 Q8TDV5 1/20 0.39
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
OPRM1 P35372 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
SCHEMBL2099 1.00 LTB4R2 (0.55) LTB4R2OXTRAVPR1AAGTR1GPR119
SCHEMBL2776 0.91 LTB4R2 (0.55) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL7270253 0.89 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1GPR119
SCHEMBL2307 0.86 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL2306 0.86 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL7272113 0.83 LTB4R2 (0.54) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL7280389 0.79 LTB4R2 (0.50) LTB4R2OXTRAVPR1AAGTR1FFAR1
SCHEMBL2934 0.79 GPR119 (0.43) OXTRAVPR1AGPR119
SCHEMBL3537 0.78 MEN1 (0.44) OXTRAVPR1AFFAR1AKR1B1OPRM1
SCHEMBL3536 0.78 MEN1 (0.44) OXTRAVPR1AFFAR1AKR1B1OPRM1

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