SCHEMBL9203568

SCHEMBL9203568

[c]1cccc(OCCCc2ccccc2)c1-c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
PLA2G4B P0C869 1/20 0.42
S1PR1 P21453 4/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
NAAA Q02083 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL9453427 0.80 CYP2D6 (0.46) NPC1RAB9AHPGD
SCHEMBL9528089 0.77 CYP2D6 (0.41) NPC1RAB9AHPGD
SCHEMBL920737 0.75 CYP11B1 (0.41) FFAR1MAOBNAAA
SCHEMBL3867576 0.73 NR1I2 (0.46) PLA2G4BDRD2DRD3MAOAPDE4D
SCHEMBL921349 0.73 CYSLTR2 (0.42) FFAR1PLA2G4BMAOBNAAA
SCHEMBL6208639 0.73 L3MBTL1 (0.48) RAB9AMAOAMAOB
SCHEMBL921411 0.73 IDO1 (0.44) FFAR1DRD2DRD4DRD3
SCHEMBL4981505 0.73 KCNA3 (0.73) FFAR1PLA2G4BS1PR1DRD2DRD4
SCHEMBL920643 0.72 FFAR1 (0.57) FFAR1PLA2G4BS1PR1DRD2DRD4
SCHEMBL4982709 0.71 KCNA3 (0.70) FFAR1PLA2G4BS1PR1DRD2DRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed