SCHEMBL6595152

SCHEMBL6595152

COc1ccc2sc(-c3ccc(OCCN4CCCC4)cc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
ESR1 P03372 8/20 0.53
ESR2 Q92731 7/20 0.53
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL6593929 0.91 ESR1 (0.56) LTA4HESR1ESR2HRH3
SCHEMBL6597298 0.88 ACHE (0.54) LTA4HESR1ESR2HRH3
SCHEMBL6594650 0.84 LTA4H (0.60) LTA4HHRH3
SCHEMBL7772285 0.81 UBE2N (0.58) LTA4HESR1ESR2HRH3
SCHEMBL7445580 0.81 POLB (0.54) LTA4HESR1ESR2HRH3
SCHEMBL7768257 0.80 ESR1 (0.56) LTA4HESR1ESR2HRH3
SCHEMBL7774143 0.79 LTA4H (0.55) LTA4HESR1ESR2HRH3
SCHEMBL7443460 0.78 LTA4H (0.77) LTA4HESR1HRH3
SCHEMBL6955456 0.78 LTA4H (0.72) LTA4HHRH3
SCHEMBL7768025 0.77 MCHR1 (0.51) LTA4HESR1ESR2HRH3

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-0863755-B1 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 2004-12-15 EP disclosed
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
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed