SCHEMBL6172364

SCHEMBL6172364

Cc1cc(Cc2c(-c3ccc(NC(=O)C4CCC(=O)N4C)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.61
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
P2RX7 Q99572 1/20 0.40

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
Oxalic Acid SCHEMBL6171999 0.99 F2 (0.60) F2ESR1ESR2P2RX7
SCHEMBL6174045 0.91 F2 (0.56) F2ESR1ESR2
Oxalic Acid SCHEMBL6170789 0.86 F2 (0.58) F2ESR1ESR2
Oxalic Acid SCHEMBL6171949 0.86 F2 (0.57) F2ESR1ESR2
Oxalic Acid SCHEMBL6171943 0.86 F2 (0.57) F2ESR1ESR2
SCHEMBL7444869 0.85 F2 (0.75) F2ESR1ESR2
SCHEMBL7828640 0.85 P2RX7 (0.43) F2ESR1ESR2P2RX7
SCHEMBL6595431 0.80 F2 (0.81) F2ESR1ESR2
SCHEMBL6172369 0.78 F2 (0.55) F2ESR1ESR2
Oxalic Acid SCHEMBL6169916 0.77 F2 (0.68) 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-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP claimed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US claimed
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