SCHEMBL9437732

SCHEMBL9437732

Cn1c(=O)oc2cc(CCCCNCCCCN3C(=O)CC(C)(C)CC3=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9437794 0.86 HTR1A (0.46) HTR1AALDH1A1L3MBTL1PKMLMNA
SCHEMBL9437929 0.85 HTR1A (0.43) HTR1AALDH1A1L3MBTL1PKMLMNA
SCHEMBL9437814 0.81 HTR1A (0.50) HTR1AALDH1A1L3MBTL1PKMUSP2
SCHEMBL9437909 0.81 HTR1A (0.46) HTR1AALDH1A1L3MBTL1PKMLMNA
SCHEMBL9437850 0.80 SIGMAR1 (0.54) HTR1AHTR2C
SCHEMBL9437804 0.80 L3MBTL1 (0.58) HTR1AALDH1A1L3MBTL1PKMLMNA
SCHEMBL9437932 0.78 SIGMAR1 (0.49) HTR1AHTR2C
SCHEMBL9437888 0.75 HTR1A (0.49) HTR1AALDH1A1DRD2HTR2CHTR7
SCHEMBL9437973 0.74 ALDH1A1 (0.40) HTR1AALDH1A1L3MBTL1PKMLMNA
SCHEMBL9437950 0.73 HTR1A (0.45) HTR1AALDH1A1DRD2HTR2CHTR7

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