SCHEMBL9301405

SCHEMBL9301405

CNC(C1CCN(C(=O)c2ccccc2)CC1)C1COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 3/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CAPN1 P07384 1/20 0.40

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
SCHEMBL9301293 0.93 LMNA (0.46) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL9302303 0.90 EPHX2 (0.47) ALDH1A1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL9301986 0.89 CYP2D6 (0.46) ALDH1A1CYP2C19KMT2AL3MBTL1POLB
SCHEMBL9301807 0.87 TSHR (0.45) ALDH1A1KMT2AKDM4EGAA
SCHEMBL9301620 0.87 RBP4 (0.48) ALDH1A1LMNAKMT2APOLB
SCHEMBL9302654 0.85 EPHX2 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL9301418 0.82 ACHE (0.43) ACHEALDH1A1SMN1; SMN2LMNAEPHX1
SCHEMBL7435319 0.77 EPHX1 (0.47) ACHEALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9302070 0.76 EPHX2 (0.47) ALDH1A1LMNAKMT2AKDM4EEPHX2
SCHEMBL9302730 0.75 EPHX2 (0.51) ALDH1A1LMNAKMT2AKDM4EEPHX2

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