SCHEMBL9874332

SCHEMBL9874332

O=C1CCC(CCN2CC=C(c3ccccc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.61
DRD3 P35462 3/20 0.61
HTR1A P08908 1/20 0.56
SIGMAR1 Q99720 2/20 0.53
DRD4 P21917 1/20 0.52
KCNA3 P22001 1/20 0.50
PARP1 P09874 3/20 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
SCHEMBL4483728 0.85 DRD2 (0.62) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL9201866 0.84 DRD2 (0.58) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL4483845 0.84 DRD2 (0.64) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL9773137 0.84 DRD2 (0.64) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL4483844 0.81 DRD2 (0.58) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL4485693 0.80 DRD2 (0.54) DRD2DRD3HTR1ASIGMAR1DRD4
SCHEMBL9206102 0.78 DRD2 (0.67) DRD2DRD3HTR1ASIGMAR1
SCHEMBL9203036 0.78 DRD2 (0.67) DRD2DRD3HTR1ASIGMAR1
SCHEMBL9199501 0.78 DRD2 (0.67) DRD2DRD3HTR1ASIGMAR1
SCHEMBL8470733 0.76 DRD2 (1.00) DRD2DRD3DRD4

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
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 US disclosed