SCHEMBL7768153

SCHEMBL7768153

COc1cc(Cc2c(-c3ccc(NC(=O)CN4CCS(=O)(=O)CC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 1.00
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 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
SCHEMBL7773967 0.88 F2 (1.00) F2ESR1ESR2
SCHEMBL7768160 0.87 F2 (1.00) F2ESR1ESR2
SCHEMBL6174701 0.87 F2 (0.83) F2ESR1ESR2
SCHEMBL7444869 0.86 F2 (0.75) F2ESR1ESR2
SCHEMBL8004396 0.85 F2 (0.74) F2KDM4ESMN1; SMN2TP53
SCHEMBL6597667 0.84 F2 (0.81) F2ESR1ESR2
SCHEMBL6597655 0.84 F2 (0.81) F2ESR1ESR2
SCHEMBL7989752 0.84 F2 (0.81) F2ESR1ESR2
SCHEMBL7989747 0.84 F2 (0.81) F2ESR1ESR2
Hydrochloric Acid SCHEMBL6595703 0.84 F2 (0.80) 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
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed