SCHEMBL8722683

SCHEMBL8722683

O=CN1C2CCC1CC(NC(=O)c1c[nH]c3ncccc13)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
HTR3A P46098 8/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
MAP2K1 Q02750 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 1/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL8722687 1.00 CNR2 (0.51) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8688595 0.87 HTR3A (0.63) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL29406314 0.87 HTR3A (0.63) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8717814 0.84 HTR3A (0.52) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8720700 0.84 CNR2 (0.50) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8717812 0.84 HTR3A (0.52) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8720701 0.84 CNR2 (0.50) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8718167 0.83 HTR4 (0.51) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8718168 0.83 HTR4 (0.51) CNR2HTR3AHTR3EHTR3BHTR3D
SCHEMBL8509996 0.82 CNR2 (0.60) CNR2MAP2K1HDAC1HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP disclosed
EP-0712408-A1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT Dompé S.P.A. (IT) 1996-05-22 EP disclosed
WO-1995004742-A1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE'SPA (IT) 1995-02-16 WO disclosed