SCHEMBL8314550

SCHEMBL8314550

CCCNC1CCc2cccc(Cl)c2C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.60
DRD3 P35462 12/20 0.60
DRD4 P21917 3/20 0.60
HTR1D P28221 6/20 0.56
HTR1B P28222 3/20 0.54

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
SCHEMBL5585108 0.83 DRD2 (0.80) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8631318 0.83 DRD2 (0.60) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8630810 0.83 DRD2 (0.60) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8630806 0.83 DRD2 (0.60) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL2025138 0.82 DRD2 (0.82) DRD2DRD3DRD4HTR1D
Ammonia Solution, Strong SCHEMBL9759247 0.82 DRD2 (0.59) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL2025960 0.82 DRD2 (0.82) DRD2DRD3DRD4HTR1D
SCHEMBL2025137 0.82 DRD2 (0.82) DRD2DRD3DRD4HTR1D
Hydrochloric Acid SCHEMBL2024400 0.81 DRD2 (0.81) DRD2DRD3DRD4HTR1D
SCHEMBL9187670 0.80 DRD2 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510068-B1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS UPJOHN CO (US) 1999-04-14 EP disclosed
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
US-5389687-A Selective antagonists of serotonin ELI LILLY AND COMPANY (US) 1995-02-14 US disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed