SCHEMBL8318624

SCHEMBL8318624

CCCN(C(=O)CC)C1CCc2ccc(N)c(Cl)c2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.44
DRD2 P14416 5/20 0.44
HTR1D P28221 6/20 0.41
HTR1B P28222 4/20 0.41
HTR7 P34969 3/20 0.41
DRD3 P35462 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL8311336 0.83 HTR2A (0.43) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL8312041 0.81 HTR1A (0.51) HTR1ADRD2HTR1DHTR1BHTR7
Hydrochloric Acid SCHEMBL8632206 0.77 LMNA (0.37) HTR1ADRD2HTR1DHTR1BCYP1A2
SCHEMBL7335068 0.77 DRD2 (0.51) HTR1ADRD2HTR7DRD3
SCHEMBL8633421 0.77 HTR1A (0.51) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL7443025 0.72 DRD3 (0.42) HTR1ADRD2HTR1DHTR7DRD3
SCHEMBL8317710 0.71 VCAM1 (0.37) HTR1ADRD2
SCHEMBL10438706 0.71 DRD2 (0.55) HTR1ADRD2HTR1DHTR1BHTR7
SCHEMBL7439267 0.70 FYN (0.41) HTR1ADRD2DRD3CYP2D6
SCHEMBL7432736 0.68 DRD3 (0.57) HTR1ADRD2DRD3HTR2A

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