SCHEMBL4052673

SCHEMBL4052673

O=C(N[C@H](CO)c1ccccc1)c1nn(CC2CCCCC2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.65
CNR2 P34972 3/20 0.46
ACHE P22303 1/20 0.46
GUCY1B2 O75343 1/20 0.45
GUCY1A2 P33402 1/20 0.45
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45
HTR3A P46098 4/20 0.43
PTGER4 P35408 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ROCK2 O75116 2/20 0.42
GPR88 Q9GZN0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR4 Q13639 1/20 0.41
TACR3 P29371 1/20 0.41
PADI4 Q9UM07 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
SCHEMBL13690930 0.87 CNR1 (0.62) CNR1CNR2ACHEHTR3APTGER4
SCHEMBL4055563 0.84 CNR1 (0.66) CNR1CNR2ACHEHTR3APTGER4
SCHEMBL4057063 0.84 CNR1 (0.74) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL13690933 0.83 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4052817 0.83 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4049800 0.83 CNR1 (0.69) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL4560432 0.82 CNR1 (0.83) CNR1CNR2ACHEHTR3AROCK2
SCHEMBL30641081 0.81 CNR1 (0.70) CNR1CNR2ACHEHTR3APTGER4
SCHEMBL13690923 0.81 CNR1 (0.70) CNR1CNR2ACHEHTR3APTGER4
SCHEMBL4050989 0.81 CNR1 (0.70) CNR1CNR2ACHEHTR3APTGER4

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