SCHEMBL7452158

SCHEMBL7452158

CCN1CCCC(N)C1(N)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
DPP4 P27487 4/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 3/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL3134727 0.68 DRD2 (0.36) DRD2
SCHEMBL3124211 0.67 OPRM1 (0.34) DRD2
SCHEMBL14833411 0.65 DRD2 (0.38) DRD2
SCHEMBL13681791 0.65
SCHEMBL3857325 0.63
SCHEMBL14058149 0.61 OPRL1 (0.34)
SCHEMBL17513269 0.61 OPRM1 (0.37) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL369052 0.61 HRH3 (0.36) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL28254778 0.61 DPP4 (0.36) CHRNB4CHRNA3DPP4CHRNB2CHRNA7
SCHEMBL7246918 0.61 CARM1 (0.40) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4

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