SCHEMBL6016793

SCHEMBL6016793

CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccc(-c2ccccc2)c(C#N)c1)C(=O)CCC1(C)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
AGTR1 P30556 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
ABCB11 O95342 1/20 0.32
GP6 Q9HCN6 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
CTSL P07711 4/20 0.32
CTSB P07858 4/20 0.32
CTSK P43235 4/20 0.32
CTSS P25774 4/20 0.32
RORC P51449 1/20 0.32
NR1H4 Q96RI1 2/20 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
SCHEMBL6016794 1.00 ITGB1 (0.36) ITGB1ITGA4AGTR1PTGDR2OXTR
SCHEMBL3473579 0.91 ITGB1 (0.41) ITGB1ITGA4AGTR1OXTRAVPR1A
SCHEMBL3473583 0.91 ITGB1 (0.41) ITGB1ITGA4AGTR1OXTRAVPR1A
SCHEMBL2441623 0.84 AGTR1 (0.47) AGTR1FFAR1AKR1B1ABCB11GP6
SCHEMBL2210 0.81 CTSS (0.39) FFAR1AKR1B1CTSLCTSBCTSK
SCHEMBL3473572 0.78 FFAR1 (0.46) ITGB1ITGA4AGTR1OXTRAVPR1A
SCHEMBL3473577 0.78 FFAR1 (0.46) ITGB1ITGA4AGTR1OXTRAVPR1A
SCHEMBL8476139 0.76 AGTR1 (0.57) AGTR1ABCB11GP6LTB4R2
SCHEMBL27753418 0.76 AGTR1 (0.57) AGTR1ABCB11GP6LTB4R2
SCHEMBL8476142 0.76 AGTR1 (0.57) AGTR1ABCB11GP6LTB4R2

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-1505965-B1 USE OF THE METABOLITE OF VALSARTAN TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2006-08-02 EP disclosed
EP-1505965-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION Novartis AG (CH) 2005-02-16 EP disclosed
WO-2003094915-A1 USE OF VALSARTAN OT ITS METABOLITE TO INHIBIT PLATELET AGGREGATION NOVARTIS AG (CH) 2003-11-20 WO disclosed