SCHEMBL9302183

SCHEMBL9302183

CNC(C1CCN(C(=O)c2cccc(Cl)c2)CC1)C1CSc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MGLL Q99685 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
ADRB2 P07550 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 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
SCHEMBL9302354 0.90 EPHX2 (0.45) MGLLMEN1KMT2AHSD11B1UBE2M
SCHEMBL9301418 0.90 ACHE (0.43) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL9301890 0.88 L3MBTL1 (0.46) MGLLHSD11B1UBE2MDCUN1D1ALDH1A1
SCHEMBL9301986 0.84 CYP2D6 (0.46) CYP2D6CYP2C19MGLLMEN1KMT2A
SCHEMBL9302190 0.77 MGLL (0.45) CYP2D6CYP2C19MGLLMEN1KMT2A
SCHEMBL9302070 0.74 EPHX2 (0.47) MGLLMEN1KMT2AHSD11B1UBE2M
SCHEMBL9302303 0.74 EPHX2 (0.47) MGLLMEN1KMT2AHSD11B1UBE2M
SCHEMBL9301807 0.73 TSHR (0.45) MEN1KMT2AHSD11B1UBE2MDCUN1D1
SCHEMBL9301405 0.73 ACHE (0.46) CYP2C19KMT2APOLBALDH1A1L3MBTL1
SCHEMBL9302730 0.72 EPHX2 (0.51) MGLLMEN1KMT2AHSD11B1UBE2M

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-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed