SCHEMBL4049800

SCHEMBL4049800

C[C@H](O)[C@H](CO)NC(=O)c1nn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.69
KDM4E B2RXH2 1/20 0.46
ROCK2 O75116 3/20 0.45
CNR2 P34972 2/20 0.45
ACHE P22303 1/20 0.45
HTR4 Q13639 4/20 0.44
HTR3A P46098 4/20 0.44
CFD P00746 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
SCHEMBL13690933 1.00 CNR1 (0.69) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4057063 0.93 CNR1 (0.74) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL13690930 0.88 CNR1 (0.62) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4052817 0.84 CNR1 (0.69) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4055563 0.84 CNR1 (0.66) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4560432 0.83 CNR1 (0.83) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4052673 0.83 CNR1 (0.65) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL29706145 0.82 CNR1 (1.00) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL4052482 0.82 CNR1 (1.00) CNR1KDM4EROCK2CNR2ACHE
SCHEMBL13691214 0.82 CNR1 (1.00) CNR1KDM4EROCK2CNR2ACHE

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed