SCHEMBL7819916

SCHEMBL7819916

Cc1cc(Cc2[c]cc(OCc3ccccc3)cc2OCC2CNC(=O)N2C(=O)OCc2ccccc2)ccc1CN1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
S1PR5 Q9H228 2/20 0.40
MCHR1 Q99705 4/20 0.38
HRH3 Q9Y5N1 8/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDGFRA P16234 1/20 0.34
ROCK1 Q13464 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7820186 0.83 S1PR1 (0.46) S1PR1S1PR5MCHR1HRH3PDGFRA
SCHEMBL7818690 0.80 S1PR1 (0.39) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL6172132 0.78 F2 (0.55) S1PR1S1PR5MCHR1HRH3
SCHEMBL7819929 0.78 S1PR1 (0.38) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL7818112 0.77 S1PR1 (0.47) S1PR1S1PR5MCHR1HRH3MEN1
SCHEMBL7818684 0.76 DRD2 (0.41) S1PR1S1PR5MCHR1HRH3
SCHEMBL6967192 0.73 LTA4H (0.47) MCHR1HRH3L3MBTL1KDM4EALDH1A1
SCHEMBL7818700 0.72 MEN1 (0.41) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL6966701 0.71 LTA4H (0.47) MCHR1HRH3HTT
SCHEMBL8127544 0.70 POLB (0.43) S1PR1S1PR5KDM4EHTT

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