SCHEMBL6957842

SCHEMBL6957842

COc1cc(-c2ccccc2)ccc1OCCN1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.70
LTA4H P09960 4/20 0.69
BACE1 P56817 2/20 0.60
POLB P06746 1/20 0.56
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL12661473 0.82 POLB (0.73) LTA4HPOLBHTR2AHTR2CHTR2B
SCHEMBL6962455 0.82 LTA4H (0.62) MCHR1LTA4HBACE1
SCHEMBL25590025 0.81 LTA4H (0.56) MCHR1LTA4HPOLBHTR2AHTR2C
SCHEMBL14618663 0.81 HTR2C (0.63) MCHR1HTR2AHTR2CHTR2B
SCHEMBL763134 0.80 SMN1; SMN2 (0.71) MCHR1LTA4HPOLB
SCHEMBL6605680 0.80 LTA4H (0.55) MCHR1LTA4HHTR2CHTR2B
SCHEMBL5385461 0.79 MCHR1 (0.77) MCHR1HTR2C
SCHEMBL5387647 0.79 MCHR1 (1.00) MCHR1HTR2CHTR2B
SCHEMBL2323789 0.79 LTA4H (0.66) MCHR1LTA4HPOLBHTR2AHTR2C
SCHEMBL264641 0.79 LTA4H (0.62) MCHR1LTA4HPOLBHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-1244655-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
WO-2001036414-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2001-05-25 WO disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed