SCHEMBL6172541

SCHEMBL6172541

Cc1cc(Cc2c(-c3ccc(OCC4COC(=O)N4)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.57
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MCHR1 Q99705 2/20 0.37

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
SCHEMBL6172781 0.90 F2 (0.70) F2
Oxalic Acid SCHEMBL6173931 0.89 F2 (0.67) F2
SCHEMBL7818365 0.86 S1PR1 (0.45) F2S1PR1S1PR5MCHR1
SCHEMBL6171549 0.84 F2 (0.73) F2S1PR1S1PR5
Oxalic Acid SCHEMBL6175630 0.83 F2 (0.56) F2
SCHEMBL6172132 0.82 F2 (0.55) F2S1PR1S1PR5MCHR1
SCHEMBL6172105 0.82 F2 (0.65) F2S1PR1S1PR5
SCHEMBL6173524 0.82 F2 (0.65) F2MCHR1
SCHEMBL6173244 0.81 F2 (0.58) F2
SCHEMBL7416510 0.81 F2 (0.58) F2

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-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