SCHEMBL7820895

SCHEMBL7820895

Cc1cc(Cc2ccc(OCc3ccccc3)cc2-c2ccc(OCCC3CCCC3)cc2)ccc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.47
S1PR5 Q9H228 2/20 0.47
F2 P00734 1/20 0.45
HRH3 Q9Y5N1 7/20 0.44
FFAR1 O14842 1/20 0.42
PPARD Q03181 1/20 0.42
LTA4H P09960 2/20 0.42
BACE1 P56817 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
MCHR1 Q99705 1/20 0.40
PRKD3 O94806 1/20 0.40
CDK7 P50613 1/20 0.40
JAK3 P52333 1/20 0.40
TNK2 Q07912 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL7352515 0.86 S1PR1 (0.53) S1PR1S1PR5F2HRH3CD274
SCHEMBL6172105 0.84 F2 (0.65) S1PR1S1PR5F2HRH3
SCHEMBL7825481 0.82 F2 (0.45) S1PR1S1PR5F2HRH3LTA4H
SCHEMBL7818684 0.79 DRD2 (0.41) S1PR1S1PR5F2HRH3LTA4H
SCHEMBL7818365 0.79 S1PR1 (0.45) S1PR1S1PR5F2HRH3CD274
SCHEMBL26009644 0.76 S1PR1 (0.67) S1PR1S1PR5HRH3LTA4HCD274
SCHEMBL7820186 0.76 S1PR1 (0.46) S1PR1S1PR5F2HRH3MCHR1
SCHEMBL7447052 0.76 CD274 (0.55) F2HRH3CD274
SCHEMBL7451351 0.75 F2 (0.58) F2HRH3
SCHEMBL7817465 0.75 HPGD (0.47) F2HRH3

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