SCHEMBL8887262

SCHEMBL8887262

CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 1.00
HTR1B P28222 13/20 1.00
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48

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
SCHEMBL8886184 0.82 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL13533349 0.79 HTR1D (1.00) HTR1DHTR1BHTR1ADRD2
SCHEMBL8316476 0.79 HTR1D (1.00) HTR1DHTR1BHTR1ADRD2
SCHEMBL8886408 0.76 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8124390 0.73 HTR1D (0.83) HTR1DHTR1BHTR1ADRD2
SCHEMBL8784460 0.69 HTR1A (0.67) HTR1DHTR1BHTR1ADRD2
SCHEMBL11267287 0.69 HTR1A (0.64) HTR1DHTR1BHTR1ADRD2
SCHEMBL8887147 0.67 HTR1D (0.54) HTR1DHTR1BHTR1ADRD2
SCHEMBL9186743 0.67 DRD2 (0.80) HTR1DHTR1BHTR1ADRD2
SCHEMBL13534482 0.65 HTR1D (0.77) HTR1DHTR1BHTR1ADRD2

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
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