SCHEMBL9300946

SCHEMBL9300946

CNC(C1CCN(Cc2ccc(OC)c(OC)c2)CC1)C1COc2ccccc2O1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LTA4H P09960 5/20 0.46
SSTR5 P35346 4/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL9301593 0.87 SIGMAR1 (0.48) LTA4HALDH1A1KDM4ESIGMAR1HTR2B
SCHEMBL9303117 0.84 LTA4H (0.48) LTA4H
SCHEMBL9301121 0.83 ACHE (0.45) BCHEACHELTA4HSIGMAR1
SCHEMBL9302817 0.83 AIMP2 (0.53) LTA4HALDH1A1KDM4ESIGMAR1
SCHEMBL9302778 0.80 SIGMAR1 (0.46) LTA4HALDH1A1KDM4ESIGMAR1
SCHEMBL9301653 0.78 ACHE (0.47) NPC1ACHELTA4HALDH1A1KMT2A
SCHEMBL9302321 0.77 ATM (0.42) LTA4HALDH1A1KDM4EKMT2ASIGMAR1
SCHEMBL9300949 0.76 ADRA1D (0.66) ACHEALDH1A1POLB
SCHEMBL9302546 0.72 SIGMAR1 (0.46) ALDH1A1KDM4ESIGMAR1POLBHTR2B
SCHEMBL9302549 0.70 LMNA (0.43) NPC1ALDH1A1KDM4EKMT2APOLB

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