SCHEMBL6170586

SCHEMBL6170586

N#CCCCOc1ccc(-c2sc3cc(OCc4ccccc4)ccc3c2Cc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.62
LTA4H P09960 4/20 0.50
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
ITGA4 P13612 1/20 0.48
MCHR1 Q99705 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL6173590 0.89 F2 (0.75) F2ESR1ESR2HTT
SCHEMBL6171329 0.88 F2 (0.79) F2ESR1ESR2HTT
SCHEMBL7990598 0.88 F2 (0.60) F2LTA4HESR1ESR2ITGA4
SCHEMBL7985980 0.88 F2 (0.60) F2LTA4HESR1ESR2ITGA4
Oxalic Acid SCHEMBL6173739 0.85 F2 (0.57) F2ESR1ESR2ITGA4HTT
SCHEMBL7768104 0.83 F2 (0.68) F2LTA4HESR1ESR2
SCHEMBL7413476 0.82 F2 (0.69) F2LTA4HESR1ESR2ITGA4
SCHEMBL6597917 0.82 F2 (0.71) F2LTA4HESR1ESR2ITGA4
SCHEMBL7412678 0.82 F2 (0.70) F2ESR1ESR2
SCHEMBL7774139 0.82 F2 (0.68) F2LTA4HESR1ESR2

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-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed