SCHEMBL9367259

SCHEMBL9367259

C1=C(c2ccccc2)CCN(CCC2CC=C(c3cccs3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
DRD4 P21917 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9368460 0.81 DRD3 (0.50) DRD2DRD3DRD4
SCHEMBL9874332 0.75 DRD2 (0.61) SIGMAR1DRD2DRD3DRD4
SCHEMBL9368439 0.75 DRD2 (0.54) DRD2DRD3DRD4
SCHEMBL7783723 0.75 DRD2 (0.76) DRD2DRD3DRD4
SCHEMBL9374318 0.75 DRD2 (0.76) SIGMAR1DRD2DRD3DRD4
SCHEMBL9378868 0.75 DRD2 (0.76) DRD2DRD3DRD4
SCHEMBL9196972 0.74 DRD2 (0.53) SIGMAR1DRD2DRD3DRD4
SCHEMBL9196981 0.74 DRD2 (0.53) SIGMAR1DRD2DRD3DRD4
SCHEMBL9196980 0.74 DRD2 (0.53) SIGMAR1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7783718 0.74 DRD2 (0.74) SIGMAR1DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431579-B1 Substituted cyclohexenes as central nervous system agents WARNER LAMBERT CO (US) 1994-07-27 EP claimed
EP-0431579-A2 Substituted cyclohexenes as central nervous system agents WARNER-LAMBERT COMPANY (US) 1991-06-12 EP claimed
EP-0431579-B1 Substituted cyclohexenes as central nervous system agents WARNER LAMBERT CO (US) 1994-07-27 EP disclosed
EP-0431579-A2 Substituted cyclohexenes as central nervous system agents WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4975445-A Antidepressants WARNER-LAMBERT COMPANY (US) 1990-12-04 US disclosed