SCHEMBL9437796

SCHEMBL9437796

CN(CCCCc1ccc2c(c1)OCC(=O)N2C)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
HTR2C P28335 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAOB P27338 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL9437726 0.85 HTR1A (0.51) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437818 0.83 HTR1A (0.49) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437707 0.78 HTR1A (0.57) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL8786888 0.78 HTR1A (0.57) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437737 0.76 HTR1A (0.55) HTR1AHTR2CSIGMAR1HTR1DHTR1B
SCHEMBL9437871 0.75 HTR1A (0.49) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437745 0.75 HTR1A (0.49) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437720 0.75 HTR1A (0.51) HTR1AHTR2CMAOBGABRA1GABRA5
SCHEMBL9437864 0.75 HTR1A (0.43) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL8177698 0.74 HTR1A (0.48) 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 4 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-5225409-A Serotoninergic disorders; anxiolytic agents; schizophrenia ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed