SCHEMBL7402602

SCHEMBL7402602

Oc1cc(Cc2ccc(F)cc2)ccc1OCCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.62
PSMB1 P20618 1/20 0.55
PSMB5 P28074 1/20 0.55
PSMB2 P49721 1/20 0.55
HRH1 P35367 3/20 0.51
DRD1 P21728 2/20 0.51
DRD4 P21917 2/20 0.51
DRD5 P21918 2/20 0.51
DRD3 P35462 2/20 0.51
DRD2 P14416 1/20 0.51
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL3564031 0.80 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL7398107 0.79 LTA4H (0.63) LTA4HPSMB1PSMB5PSMB2ESR1
SCHEMBL7135467 0.78 PSMB1 (0.82) LTA4HPSMB1PSMB5PSMB2HRH3
SCHEMBL7141059 0.77 LTA4H (1.00) LTA4HPSMB1PSMB5PSMB2HRH1
SCHEMBL14397182 0.75 TSHR (0.67) HRH1DRD1DRD4DRD5DRD3
SCHEMBL4485237 0.74 SMN1; SMN2 (0.51) LTA4HDRD1DRD3DRD2ESR1
SCHEMBL2562707 0.74 SMN1; SMN2 (0.55) LTA4HESR1ESR2SMN1; SMN2
SCHEMBL3564150 0.74 ALDH1A1 (0.49) LTA4HESR1ESR2SMN1; SMN2
SCHEMBL29573150 0.73 TDP1 (0.66) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL2557491 0.72 TDP1 (0.52) LTA4HSMN1; SMN2

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-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed