SCHEMBL9301418

SCHEMBL9301418

CNC(C1CCN(C(=O)c2ccccc2)CC1)C1CSc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ALDH1A1 P00352 3/20 0.42
EPHX1 P07099 1/20 0.41
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
EPHX2 P34913 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CAPN1 P07384 1/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CYP2C19 P33261 1/20 0.37
BACE1 P56817 1/20 0.36

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 0.91 EPHX2 (0.45) ALDH1A1KMT2AEPHX2L3MBTL1MEN1
SCHEMBL9302183 0.90 CYP2D6 (0.44) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL9301890 0.88 L3MBTL1 (0.46) ACHEALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL9301405 0.82 ACHE (0.46) ACHEALDH1A1EPHX1KMT2ASMN1; SMN2
SCHEMBL9301293 0.76 LMNA (0.46) ALDH1A1KMT2ASMN1; SMN2EPHX2L3MBTL1
SCHEMBL9302070 0.73 EPHX2 (0.47) ALDH1A1KMT2AKDM4EEPHX2L3MBTL1
SCHEMBL9302303 0.73 EPHX2 (0.47) ALDH1A1KMT2ASMN1; SMN2KDM4EEPHX2
SCHEMBL9301424 0.73 ADRA1A (0.45) ACHEEPHX1KMT2ASMN1; SMN2EPHX2
SCHEMBL9301986 0.73 CYP2D6 (0.46) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL9302730 0.71 EPHX2 (0.51) ALDH1A1KMT2AKDM4EEPHX2L3MBTL1

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