SCHEMBL6173524

SCHEMBL6173524

Cc1cc(Cc2c(-c3ccc(OCCN4CCNC4=O)cc3)sc3cc(OCc4ccccc4)ccc23)ccc1CN1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.65
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MCHR1 Q99705 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 SCHEMBL6173814 0.89 F2 (0.76) F2ESR1ESR2
SCHEMBL6966595 0.86 F2 (0.58) F2ESR1ESR2MCHR1
SCHEMBL7825481 0.85 F2 (0.45) F2MCHR1
SCHEMBL7415282 0.85 F2 (0.67) F2ESR1ESR2MCHR1
SCHEMBL6171549 0.85 F2 (0.73) F2ESR1ESR2
SCHEMBL6172105 0.84 F2 (0.65) F2ESR1ESR2
SCHEMBL7413476 0.84 F2 (0.69) F2ESR1ESR2
SCHEMBL6597917 0.84 F2 (0.71) F2ESR1ESR2
SCHEMBL7409357 0.82 F2 (0.65) F2ESR1ESR2
SCHEMBL6597527 0.82 F2 (0.67) 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 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