SCHEMBL2630

SCHEMBL2630

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.40
MME P08473 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
LTB4R2 Q9NPC1 6/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
KDM5A P29375 2/20 0.39
KDM4A O75164 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
AGTR2 P50052 2/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
PTPN1 P18031 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
ITGB1 P05556 1/20 0.37

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
SCHEMBL2918 1.00 AGTR1 (0.40) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2034 0.90 AGTR1 (0.47) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2700 0.90 AGTR1 (0.47) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2980 0.89 AGTR1 (0.42) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL1970 0.84 LTB4R2 (0.51) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2629 0.83 LTB4R2 (0.54) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2628 0.83 LTB4R2 (0.54) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2443439 0.83 LTB4R2 (0.44) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL2141 0.82 FFAR1 (0.43) AGTR1MMEFFAR1AKR1B1LTB4R2
SCHEMBL14998792 0.81 AGTR1 (0.44) AGTR1MMEFFAR1AKR1B1OXTR

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