SCHEMBL9437801

SCHEMBL9437801

CCCN(CCCCN1C(=O)CC2(CCCCC2)C1=O)CCc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.40
HTR2C P28335 3/20 0.38
HTR1B P28222 2/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
HTR1D P28221 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
NMT1 P30419 1/20 0.33

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
SCHEMBL9437862 0.97 HTR1A (0.43) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437886 0.84 PARP1 (0.44) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437808 0.83 HTR1A (0.45) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437710 0.83 HTR1A (0.42) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9593875 0.82 HTR1A (0.50) HTR1AHTR2CHTR1BDRD2DRD1
SCHEMBL9437875 0.81 HTR1A (0.47) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437713 0.78 HTR1A (0.45) HTR1AHTR2CHTR1BHTR1DSLC6A4
SCHEMBL9437840 0.77 SIGMAR1 (0.43)
SCHEMBL9437720 0.77 HTR1A (0.51) HTR1AHTR2CGABRA1GABRA5
SCHEMBL9437846 0.77 HTR1A (0.46) HTR1AHTR2CHTR1BDRD2DRD1

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 2 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