SCHEMBL8884660

SCHEMBL8884660

CCCN(C1CCc2cccc(C=O)c2C1)[C@@H](C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
HTR1D P28221 7/20 0.46
HTR1B P28222 5/20 0.46
HTR1A P08908 3/20 0.45
HTR7 P34969 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45

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
SCHEMBL8886530 0.83 DRD2 (0.49) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL7935260 0.81 HTR1A (0.66) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL28997283 0.77 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL28997280 0.77 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL30335277 0.77 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL28997284 0.77 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL6542148 0.74 CHRM3 (0.61) DRD2DRD3HTR1DHTR1BHTR1A
SCHEMBL6558780 0.73 HTR1A (0.49) DRD2DRD3HTR1A
SCHEMBL8886118 0.72 HTR1A (0.70) DRD2HTR1DHTR1BHTR1A
SCHEMBL8886538 0.71 HTR1A (0.56) DRD2HTR1DHTR1BHTR1A

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
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-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