SCHEMBL9301653

SCHEMBL9301653

CNC(C1CCN(Cc2ccccc2C)CC1)C1COc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2A13 Q16696 1/20 0.42
CXCR4 P61073 1/20 0.40
LTA4H P09960 6/20 0.40
HTR1A P08908 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9302321 0.88 ATM (0.42) KMT2AALDH1A1CYP2A13LTA4HSIGMAR1
SCHEMBL9303117 0.85 LTA4H (0.48) LTA4HMAPTMAPK1
SCHEMBL9301121 0.82 ACHE (0.45) ACHECXCR4LTA4HHTR1ASIGMAR1
SCHEMBL9302817 0.80 AIMP2 (0.53) ALDH1A1CXCR4LTA4HHTR1ASIGMAR1
SCHEMBL9301593 0.78 SIGMAR1 (0.48) ALDH1A1LTA4HHTR1ASIGMAR1MAPT
SCHEMBL9300946 0.78 NPC1 (0.52) ACHEKMT2AALDH1A1LTA4HSIGMAR1
SCHEMBL9302778 0.77 SIGMAR1 (0.46) ALDH1A1LTA4HSIGMAR1LMNAMAPT
SCHEMBL9302549 0.74 LMNA (0.43) KMT2AALDH1A1LMNANPC1MAPT
SCHEMBL9301658 0.74 ADRA1D (0.64) ACHECXCR4HTR1A
SCHEMBL9301405 0.73 ACHE (0.46) ACHEKMT2AALDH1A1LMNAMAPT

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