SCHEMBL8559436

SCHEMBL8559436

CCCC(O[C]=O)c1ccc(C(=N)NCC)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
GCGR P47871 14/20 0.31
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
GCG P01275 2/20 0.31

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
SCHEMBL8174692 0.82 F2 (0.42)
SCHEMBL8169955 0.80 CTSK (0.36) CA12GPR88
SCHEMBL8162689 0.76 HSD17B10 (0.38)
SCHEMBL4672469 0.75 CA12 (0.36) CA12CA9GCGR
SCHEMBL8169531 0.73 F2 (0.40)
SCHEMBL1432767 0.73 AOC3 (0.39) GPR88
SCHEMBL11005234 0.69 HRH3 (0.39) CA12CA9
SCHEMBL9030206 0.68 PRMT1 (0.32)
SCHEMBL6003373 0.67 POLB (0.42)
SCHEMBL9572839 0.66 PPARG (0.44)

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
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed