SCHEMBL4055563

SCHEMBL4055563

O=C(N[C@H](CO)CC1CCCCC1)c1nn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.66
CNR2 P34972 3/20 0.47
ACHE P22303 1/20 0.47
HTR3A P46098 5/20 0.43
ROCK2 O75116 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR4 Q13639 3/20 0.42
PTGER4 P35408 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
SCHEMBL4052673 0.84 CNR1 (0.65) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4057063 0.84 CNR1 (0.74) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL13690933 0.84 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4049800 0.84 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4052817 0.84 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL13690930 0.82 CNR1 (0.62) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4560432 0.80 CNR1 (0.83) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4050497 0.80 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL13690922 0.80 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4052482 0.80 CNR1 (1.00) CNR1CNR2ACHEHTR3AROCK2

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