SCHEMBL7440889

SCHEMBL7440889

Oc1ccc(Cc2ccc(CN3CCCC3)cc2)c(-c2ccc(CN3CCOCC3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.58
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CHEK1 O14757 1/20 0.43
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
F2 P00734 1/20 0.40
CYP2A13 Q16696 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
SCHEMBL7446038 0.80 F2 (0.62) F2
SCHEMBL7452312 0.79 F2 (0.62) HRH3F2
SCHEMBL7447509 0.79 F2 (0.62) HRH3F2
SCHEMBL7347349 0.78 HRH3 (0.50) HRH3HRH4CYP2D6CYP2C19
SCHEMBL7446550 0.77 F2 (0.64) HRH3F2
SCHEMBL4024799 0.75 HRH3 (0.71) HRH3CYP2C9ALOX15HSD17B10HPGD
SCHEMBL7768043 0.74 F2 (0.71) HRH3F2
SCHEMBL7452879 0.74 F2 (0.52) HRH3F2
SCHEMBL7574644 0.73 ESR1 (0.67) HRH3
SCHEMBL7434158 0.72 HRH3 (0.68) HRH3CYP2C9HPGDCYP2D6CYP2C19

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