SCHEMBL7818112

SCHEMBL7818112

Cc1cc(Cc2[c]cc(OCc3ccccc3)cc2O)ccc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
S1PR5 Q9H228 1/20 0.47
HRH3 Q9Y5N1 14/20 0.45
MCHR1 Q99705 2/20 0.44
F2 P00734 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL7818684 0.82 DRD2 (0.41) S1PR1S1PR5HRH3MCHR1F2
SCHEMBL6967192 0.80 LTA4H (0.47) HRH3MCHR1
SCHEMBL7819929 0.79 S1PR1 (0.38) S1PR1S1PR5HRH3MCHR1F2
SCHEMBL26009644 0.78 S1PR1 (0.67) S1PR1S1PR5HRH3MCHR1MEN1
SCHEMBL7810143 0.78 MEN1 (0.47) HRH3F2MEN1KMT2A
SCHEMBL7818690 0.78 S1PR1 (0.39) S1PR1S1PR5HRH3MCHR1MEN1
SCHEMBL6966701 0.78 LTA4H (0.47) HRH3MCHR1
SCHEMBL7352515 0.78 S1PR1 (0.53) S1PR1S1PR5HRH3MCHR1F2
SCHEMBL7819916 0.77 S1PR1 (0.40) S1PR1S1PR5HRH3MCHR1MEN1
SCHEMBL6960995 0.75 LTA4H (0.42) HRH3MCHR1

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-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed