SCHEMBL9301593

SCHEMBL9301593

CNC(C1CCN(Cc2cccc(OC)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MCHR1 Q99705 3/20 0.45
DRD4 P21917 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
LTA4H P09960 1/20 0.43
CXCR3 P49682 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2B P41595 1/20 0.42
OPRM1 P35372 1/20 0.42
HTR1D P28221 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL9301121 0.87 ACHE (0.45) SIGMAR1MAPTDRD4LTA4HHTR1A
SCHEMBL9300946 0.87 NPC1 (0.52) SIGMAR1KDM4EALDH1A1LTA4HHTR2B
SCHEMBL9302817 0.87 AIMP2 (0.53) SIGMAR1KDM4EALDH1A1MAPTDRD4
SCHEMBL9302546 0.84 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1MAPTMCHR1
SCHEMBL9302778 0.84 SIGMAR1 (0.46) SIGMAR1KDM4EALDH1A1MAPTDRD4
SCHEMBL9303117 0.82 LTA4H (0.48) MAPTLTA4H
SCHEMBL9301653 0.78 ACHE (0.47) SIGMAR1ALDH1A1MAPTLTA4HHTR1A
SCHEMBL9302321 0.77 ATM (0.42) SIGMAR1KDM4EALDH1A1MAPTLTA4H
SCHEMBL9301600 0.76 ADRA1D (0.74) ALDH1A1DRD4ADRA1DADRA1AADRA1B
SCHEMBL9301861 0.74 BACE1 (0.49) ALDH1A1DRD4DRD2

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