SCHEMBL3664

SCHEMBL3664

COC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTPN1 P18031 1/20 0.43
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
AGTR1 P30556 1/20 0.41
MME P08473 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
ESR2 Q92731 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 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
SCHEMBL2651 0.91 ALDH1A1 (0.52) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL1820 0.90 FFAR1 (0.43) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL2210 0.90 CTSS (0.39) FFAR1AKR1B1PTPN1LMNAALDH1A1
SCHEMBL7278662 0.89 MME (0.44) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL6509546 0.88 ALDH1A1 (0.49) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL2989 0.88 FFAR1 (0.43) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL2438545 0.87 FFAR1 (0.48) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL3473577 0.87 FFAR1 (0.46) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL3473572 0.87 FFAR1 (0.46) FFAR1AKR1B1PTPN1OXTRAVPR1A
SCHEMBL1809623 0.85 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed