SCHEMBL9437802

SCHEMBL9437802

CN1C(=O)COc2cc(CCCCNCCCCN3CCC(C)(C)CC3=O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
HTR2C P28335 3/20 0.47
HTR1D P28221 4/20 0.39
HTR1B P28222 4/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 2/20 0.39
NMT1 P30419 3/20 0.38
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
ALOX5 P09917 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL9437887 0.96 HTR1A (0.45) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437888 0.87 HTR1A (0.49) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437965 0.85 HTR1A (0.52) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437950 0.83 HTR1A (0.45) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437719 0.81 HTR1A (0.52) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9452085 0.81 HTR1A (0.47) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437921 0.80
SCHEMBL9437890 0.79 HTR1A (0.47) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437808 0.78 HTR1A (0.45) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437737 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 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-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed