SCHEMBL3931322

SCHEMBL3931322

O=C(O)OC1CCN(C(=O)C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.53
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.38
DRD2 P14416 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3474523 0.91 THRB (0.57) THRBLMNASMN1; SMN2CNR1
SCHEMBL3472073 0.90 THRB (0.55) THRBLMNASMN1; SMN2CNR1DRD2
SCHEMBL3471621 0.87 THRB (0.52) THRBLMNASMN1; SMN2
SCHEMBL3472341 0.87 THRB (0.58) THRBLMNACNR1DRD2
SCHEMBL3473914 0.87 THRB (0.60) THRBLMNACNR1
SCHEMBL3474527 0.84 THRB (0.64) THRBLMNADRD2
SCHEMBL3473079 0.82 THRB (0.61) THRBLMNASMN1; SMN2DRD2ROCK2
SCHEMBL3471625 0.81 THRB (0.51) THRBLMNASMN1; SMN2CNR1DRD2
SCHEMBL3473277 0.80 THRB (0.64) THRBLMNADRD2ROCK2
SCHEMBL3472242 0.79 THRB (0.58) THRBLMNACNR1DRD2

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
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 WO disclosed