SCHEMBL8886979

SCHEMBL8886979

CCCNC1CCc2ccc3[nH]ccc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 1.00
HTR1B P28222 12/20 1.00
HTR1A P08908 2/20 0.59
DRD2 P14416 1/20 0.59

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
SCHEMBL7434490 0.90 HTR1D (0.81) HTR1DHTR1BHTR1ADRD2
SCHEMBL8885860 0.75 HTR1A (1.00) HTR1DHTR1BHTR1ADRD2
SCHEMBL8315482 0.74 HTR1D (1.00) HTR1DHTR1B
SCHEMBL5917114 0.72 HTR1D (0.62) HTR1DHTR1B
SCHEMBL8316304 0.72 HTR1D (0.56) HTR1DHTR1BDRD2
SCHEMBL3201298 0.71 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8314164 0.71 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8314550 0.70 DRD2 (0.60) HTR1DHTR1BDRD2
SCHEMBL8630806 0.70 DRD2 (0.60) HTR1DHTR1BDRD2
SCHEMBL8631318 0.70 DRD2 (0.60) 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 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