SCHEMBL10616643

SCHEMBL10616643

COc1ccc2cccc3c2c1CC(N)C3

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.59
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44

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
Hydrochloric Acid SCHEMBL10615473 0.98 ADRA1A (0.57) ADRA1ADRD2DRD3MTNR1AMTNR1B
SCHEMBL6634360 0.81 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL385443 0.80 DRD2 (0.73) ADRA1ADRD2DRD3
SCHEMBL31324598 0.80 DRD2 (0.73) ADRA1ADRD2DRD3
SCHEMBL6635819 0.80 MTNR1B (0.54) ADRA1AMTNR1AMTNR1B
SCHEMBL10615302 0.79 CHRM2 (0.57) DRD2DRD3
SCHEMBL6634046 0.79 MTNR1A (0.44) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL1786250 0.79 DRD2 (0.71) ADRA1ADRD2DRD3
Hydrochloric Acid SCHEMBL10617539 0.78 CHRM2 (0.56) DRD2DRD3
SCHEMBL7741778 0.77 MTNR1A (0.49) MTNR1AMTNR1B

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-0288477-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1988-11-02 EP disclosed
EP-0234113-A1 2,3-Dihydro-1H-phenalene-2-amino compounds as anti-psychotic drugs THE UPJOHN COMPANY (US) 1987-09-02 EP disclosed
WO-1987004153-A1 2,3-DIHYDRO-1H-PHENALENE-2-AMINO COMPOUNDS AS ANTI-PSYCHOTIC DRUGS THE UPJOHN COMPANY (US) 1987-07-16 WO disclosed