SCHEMBL9370895

SCHEMBL9370895

Nc1ccccc1OCC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.56
HTR2C P28335 3/20 0.49
ALDH1A1 P00352 1/20 0.48
RIPK1 Q13546 1/20 0.45
FAAH O00519 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
CDK2 P24941 1/20 0.43

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
SCHEMBL1340888 0.98 MCHR1 (0.55) MCHR1HTR2CALDH1A1RIPK1FAAH
SCHEMBL8785073 0.95 MCHR1 (0.55) MCHR1HTR2CALDH1A1RIPK1FAAH
SCHEMBL23493020 0.91 ALDH1A1 (0.53) MCHR1HTR2CALDH1A1RIPK1CYP1A2
SCHEMBL3798519 0.91 ALDH1A1 (0.53) MCHR1HTR2CALDH1A1RIPK1CYP1A2
SCHEMBL13537842 0.83 MCHR1 (0.55) MCHR1HTR2CPARP10
SCHEMBL27812817 0.83 SLC6A2 (0.53) HTR2CALDH1A1RIPK1
SCHEMBL12261484 0.81 MCHR1 (0.49) MCHR1HTR2CPARP15PARP10CDK2
SCHEMBL618003 0.81 MCHR1 (0.52) MCHR1HTR2CCDK2
SCHEMBL8786763 0.81 MCHR1 (0.56) MCHR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21694298 0.80 RIPK1 (0.48) MCHR1HTR2CALDH1A1RIPK1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032090-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE 帝人株式会社 2020-02-13 WO disclosed
EP-0597003-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1994-05-18 EP disclosed
WO-1993003030-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1993-02-18 WO disclosed