SCHEMBL9437844

SCHEMBL9437844

CCCN(CCNS(=O)(=O)c1ccc(C)cc1)CCc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 3/20 0.39
HTR2C P28335 2/20 0.39
PKM P14618 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL9437746 0.95 TSHR (0.46) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9437743 0.94 TSHR (0.43) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9437824 0.91 TSHR (0.43) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9437806 0.91 TSHR (0.45) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9437864 0.84 HTR1A (0.43) ALDH1A1MEN1KMT2APOLBHTR1A
SCHEMBL9593875 0.84 HTR1A (0.50) HSD17B10TSHRHTR1AHTR2CGABRA1
SCHEMBL9437820 0.80 PKM (0.54) MEN1KMT2APOLBPKM
SCHEMBL9437777 0.79 ALDH1A1 (0.42) MAPK1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9437846 0.79 HTR1A (0.46) HSD17B10TSHRHTR1AHTR2CGABRA1
SCHEMBL9437916 0.76 HTR1A (0.46) HSD17B10TSHRHTR1AHTR2CGABRA1

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