SCHEMBL9437846

SCHEMBL9437846

CCCN(CCN)CCc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.46
HTR2C P28335 3/20 0.46
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
DRD2 P14416 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 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
SCHEMBL9593875 0.94 HTR1A (0.50) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437916 0.86 HTR1A (0.46) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437919 0.83 HTR1A (0.46) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437724 0.83 HTR1A (0.55) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437713 0.82 HTR1A (0.45) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437875 0.81 HTR1A (0.47) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437726 0.80 HTR1A (0.51) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437707 0.80 HTR1A (0.57) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437844 0.79 MAPK1 (0.44) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL8785675 0.78 HTR1A (0.55) HTR1AHTR2CHTR1DHTR1BSLC6A4

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-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed