SCHEMBL8360853

SCHEMBL8360853

C=C(CCC1(C)CCCO1)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.45
ITGA4 P13612 6/20 0.45
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
PTPN1 P18031 1/20 0.33
ITGB7 P26010 2/20 0.33
MME P08473 1/20 0.33
AGTR1 P30556 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL8363926 0.85 FFAR1 (0.44) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL3473579 0.82 ITGB1 (0.41) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL3473583 0.82 ITGB1 (0.41) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL3473577 0.79 FFAR1 (0.46) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL3473572 0.79 FFAR1 (0.46) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL3664 0.77 FFAR1 (0.45) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL2651 0.76 ALDH1A1 (0.52) ITGB1ITGA4OXTRAVPR1AFFAR1
SCHEMBL29378073 0.76 AGTR1 (0.54) FFAR1AKR1B1AGTR1
SCHEMBL1809623 0.76 AGTR1 (0.54) FFAR1AKR1B1AGTR1
SCHEMBL2140 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003094915-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2003-11-20 WO disclosed