SCHEMBL14155487

SCHEMBL14155487

CCc1c(C(=O)NN2CCOCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.67
CNR1 P21554 9/20 0.67
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64

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
SCHEMBL14155489 0.92 CNR1 (0.80) CNR2CNR1CYP2C9GPR55
SCHEMBL10138898 0.90 CNR1 (0.79) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL14155495 0.89 CNR2 (0.85) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL661771 0.89 CNR2 (0.70) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL14155485 0.86 CNR2 (0.82) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL10171054 0.84 CNR1 (0.64) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL31529039 0.83 CNR1 (0.71) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL5160340 0.83 CNR1 (0.90) CNR2CNR1CYP1A2CYP2D6MAPT
SCHEMBL31529034 0.83 CNR1 (0.62) CNR2CNR1KDM4EMEN1CYP1A2
SCHEMBL31529019 0.83 CNR1 (0.68) CNR2CNR1KDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075118-A1 NOVEL CB1 ANTAGONISTS AND THEIR PREPARATION RICHTER GEDEON NYRT. (HU) 2008-06-26 WO disclosed