SCHEMBL7825481

SCHEMBL7825481

Cc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(OCCN3CCNC3=O)cc2)ccc1CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
MCHR1 Q99705 5/20 0.45
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
KCNH2 Q12809 2/20 0.43
LTA4H P09960 2/20 0.43
HTT P42858 2/20 0.42
HRH3 Q9Y5N1 4/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR3A P46098 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7817476 0.89 F2 (0.55) F2KCNH2HRH3
SCHEMBL6173524 0.85 F2 (0.65) F2MCHR1
SCHEMBL7352515 0.83 S1PR1 (0.53) F2MCHR1S1PR1S1PR5HRH3
SCHEMBL7820895 0.82 S1PR1 (0.47) F2MCHR1S1PR1S1PR5LTA4H
SCHEMBL7819929 0.81 S1PR1 (0.38) F2MCHR1S1PR1S1PR5KCNH2
SCHEMBL7818365 0.79 S1PR1 (0.45) F2MCHR1S1PR1S1PR5KCNH2
SCHEMBL7820186 0.78 S1PR1 (0.46) F2MCHR1S1PR1S1PR5HRH3
Oxalic Acid SCHEMBL6173814 0.75 F2 (0.76) F2
SCHEMBL6968891 0.75 MCHR1 (0.48) F2MCHR1KCNH2LTA4HHTT
SCHEMBL7504385 0.75 F2 (0.53) F2LTA4HHRH3NPC1RAB9A

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