SCHEMBL8316304

SCHEMBL8316304

CCCNCC1CC1.c1cc2c3c(ccc2[nH]1)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.56
HTR1B P28222 12/20 0.56
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL7449710 0.77 HTR1D (0.53) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL25521233 0.74 HTR1D (0.53) HTR1DHTR1B
SCHEMBL31727562 0.74 HTR1D (0.53) HTR1DHTR1B
SCHEMBL8886979 0.72 HTR1D (1.00) HTR1DHTR1BDRD2
SCHEMBL7434490 0.72 HTR1D (0.81) HTR1DHTR1BDRD2DRD4DRD3
SCHEMBL8887087 0.71 HTR1D (0.47) HTR1DHTR1B
SCHEMBL9755468 0.66 HTR1D (0.66) HTR1DHTR1BDRD2
SCHEMBL95570 0.66
SCHEMBL11420212 0.66 SAT1 (0.60)
SCHEMBL8316283 0.65 HTR1D (1.00) HTR1DHTR1BDRD2

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 4 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-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed