SCHEMBL2780

SCHEMBL2780

CCCCCN(Cc1ccc(-c2ccccc2C#N)cc1Br)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.35
AKR1B1 P15121 1/20 0.35
KDM5A P29375 3/20 0.35
AGTR1 P30556 2/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
PPARA Q07869 1/20 0.33
AGTR2 P50052 1/20 0.32
CYP2C9 P11712 1/20 0.32
S1PR1 P21453 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2141 0.87 FFAR1 (0.43) FFAR1AKR1B1KDM5AAGTR1KDM4A
SCHEMBL2779 0.86 AGTR1 (0.42) FFAR1AKR1B1AGTR1OXTRAVPR1A
SCHEMBL1976 0.82 AGTR1 (0.36) AGTR1AGTR2PKM
SCHEMBL2438545 0.78 FFAR1 (0.48) FFAR1AKR1B1OXTRAVPR1APTPN1
SCHEMBL3133 0.78 PDCD1 (0.43) FFAR1AKR1B1PTPN1CTSLCTSS
SCHEMBL2700 0.78 AGTR1 (0.47) FFAR1AKR1B1KDM5AAGTR1KDM4A
SCHEMBL2034 0.78 AGTR1 (0.47) FFAR1AKR1B1KDM5AAGTR1KDM4A
SCHEMBL7276200 0.76 AGTR1 (0.48) AGTR1CYP2C9S1PR1
SCHEMBL2443439 0.76 LTB4R2 (0.44) FFAR1AKR1B1AGTR1OXTRAVPR1A
SCHEMBL1809623 0.75 AGTR1 (0.54) FFAR1AKR1B1AGTR1

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