SCHEMBL6966595

SCHEMBL6966595

COc1cc(Cc2c(-c3ccc(OCCN4CCCC4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1OCCN1CCNC1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.58
LTA4H P09960 1/20 0.48
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
MCHR1 Q99705 1/20 0.43

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
SCHEMBL7768104 0.92 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL7420436 0.90 F2 (0.59) F2LTA4HESR1ESR2MCHR1
SCHEMBL7417931 0.89 F2 (0.62) F2LTA4HESR1ESR2
SCHEMBL6173524 0.86 F2 (0.65) F2ESR1ESR2MCHR1
SCHEMBL7413423 0.86 F2 (0.60) F2LTA4HESR1ESR2
SCHEMBL7772456 0.85 F2 (0.61) F2LTA4HESR1ESR2
SCHEMBL7412678 0.84 F2 (0.70) F2ESR1ESR2
SCHEMBL7775990 0.83 F2 (0.59) F2LTA4HESR1ESR2
SCHEMBL7774139 0.83 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL6598562 0.82 F2 (0.74) F2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed