SCHEMBL7440485

SCHEMBL7440485

COc1ccc(Cc2ccc(CN3CCCC3)c(C)c2)c(-c2ccc(OCC3CO3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.43
DRD4 P21917 7/20 0.42
PKM P14618 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
LTA4H P09960 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ESR1 P03372 2/20 0.39
FFAR1 O14842 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
SCHEMBL7830026 0.84 F2 (0.51) F2CD274ESR1FFAR1
SCHEMBL7809457 0.83 F2 (0.41) F2CD274LTA4HFFAR1
SCHEMBL7504385 0.83 F2 (0.53) F2LTA4HHRH3ESR1
SCHEMBL7772445 0.82 F2 (0.65) F2ESR1
SCHEMBL7772447 0.82 F2 (0.65) F2ESR1
SCHEMBL7507451 0.81 POLB (0.54)
SCHEMBL7452204 0.77 HRH3 (0.55) F2LTA4HHRH3
SCHEMBL7818611 0.76 F2 (0.48) F2HRH3ESR1
SCHEMBL7818365 0.76 S1PR1 (0.45) F2CD274HRH3
SCHEMBL7452240 0.75 F2 (0.56) F2LTA4HHRH3ESR1

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-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed