SCHEMBL7446038

SCHEMBL7446038

COc1cc(Cc2ccc(O)cc2-c2ccc(CCN3CCCC3)cc2)ccc1CN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.62
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TNIK Q9UKE5 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL7452046 0.94 F2 (0.68) F2MCHR1KDM4EMAPTSIGMAR1
SCHEMBL7446550 0.90 F2 (0.64) F2
SCHEMBL7446154 0.83 F2 (0.70) F2
SCHEMBL6595508 0.83 F2 (0.91) F2
SCHEMBL7452879 0.81 F2 (0.52) F2
SCHEMBL7346685 0.81 F2 (0.62) F2
SCHEMBL7819922 0.81 MCHR1 (0.56) F2MCHR1KDM4E
SCHEMBL7438768 0.81 F2 (0.71) F2
SCHEMBL7440889 0.80 HRH3 (0.58) F2
SCHEMBL7452057 0.79 HRH3 (0.54) F2KDM4EMAPTSIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed