SCHEMBL9437772

SCHEMBL9437772

CCCN(CCNS(=O)(=O)c1ccc(C)cc1)CCc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 3/20 0.45
SIGMAR1 Q99720 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9437785 0.94 TSHR (0.49) HSD17B10MAPK1MAPTTSHRTDP1
SCHEMBL9437836 0.88 MAPT (0.50) HSD17B10MAPTALDH1A1KDM4ESIGMAR1
SCHEMBL9437754 0.83 MAPT (0.48) MAPTALDH1A1KDM4ESIGMAR1MEN1
SCHEMBL9437778 0.78 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL8948178 0.76 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9437923 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL12691657 0.75 ALDH1A1 (0.63) HSD17B10MAPK1ALDH1A1SIGMAR1MEN1
SCHEMBL9437777 0.74 ALDH1A1 (0.42) HSD17B10MAPK1TSHRTDP1ALDH1A1
SCHEMBL9437844 0.74 MAPK1 (0.44) HSD17B10MAPK1TSHRTDP1ALDH1A1
SCHEMBL9437813 0.73 MAOB (0.47) SIGMAR1

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-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US claimed
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