SCHEMBL9302778

SCHEMBL9302778

CNC(C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
DRD4 P21917 2/20 0.42
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CHRM3 P20309 1/20 0.41

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) SIGMAR1LTA4HDRD4MAPTMAPK1
SCHEMBL9302817 0.86 AIMP2 (0.53) SIGMAR1LTA4HKDM4EALDH1A1GAA
SCHEMBL9301593 0.84 SIGMAR1 (0.48) SIGMAR1LTA4HKDM4EALDH1A1DRD4
SCHEMBL9303117 0.81 LTA4H (0.48) LTA4HMAPTMAPK1
SCHEMBL9300946 0.80 NPC1 (0.52) SIGMAR1LTA4HKDM4EALDH1A1
SCHEMBL9301620 0.80 RBP4 (0.48) ALDH1A1UBE2MDCUN1D1LMNA
SCHEMBL9302321 0.79 ATM (0.42) SIGMAR1LTA4HKDM4EALDH1A1MAPT
SCHEMBL9301653 0.77 ACHE (0.47) SIGMAR1LTA4HALDH1A1LMNAMAPT
SCHEMBL9302789 0.76 ADRA1D (0.56) SIGMAR1ALDH1A1LMNAMAPTKCNH2
SCHEMBL9301861 0.73 BACE1 (0.49) ALDH1A1DRD4DCUN1D1LMNAFAAH

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