SCHEMBL7819929

SCHEMBL7819929

Cc1cc(Cc2[c]cc(OCc3ccccc3)cc2OCCN2CCNC2=O)ccc1CN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MCHR1 Q99705 4/20 0.38
F2 P00734 1/20 0.37
LTA4H P09960 4/20 0.37
HRH3 Q9Y5N1 6/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7831868 0.87 F2 (0.41) F2LTA4HHRH3HTTMEN1
SCHEMBL7818684 0.82 DRD2 (0.41) S1PR1S1PR5MCHR1F2LTA4H
SCHEMBL6967192 0.81 LTA4H (0.47) MCHR1LTA4HHRH3HTTKCNH2
SCHEMBL6966701 0.81 LTA4H (0.47) MCHR1LTA4HHRH3HTTKCNH2
SCHEMBL7825481 0.81 F2 (0.45) S1PR1S1PR5MCHR1F2LTA4H
SCHEMBL6960995 0.80 LTA4H (0.42) MCHR1LTA4HHRH3HTTKCNH2
SCHEMBL7818112 0.79 S1PR1 (0.47) S1PR1S1PR5MCHR1F2HRH3
SCHEMBL7818690 0.79 S1PR1 (0.39) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL7819916 0.78 S1PR1 (0.40) S1PR1S1PR5MCHR1HRH3HTT
SCHEMBL7445212 0.78 F2 (0.46) F2LTA4HHRH3HTTMEN1

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