SCHEMBL8688595

SCHEMBL8688595

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL29406314 1.00 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8717814 0.90 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8717812 0.90 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8720701 0.88 CNR2 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8720700 0.88 CNR2 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8722687 0.87 CNR2 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8722683 0.87 CNR2 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8718167 0.85 HTR4 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8718168 0.85 HTR4 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8509996 0.84 CNR2 (0.60) CNR2ALDH1A1CYP3A4

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 7 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 claimed
EP-0712408-A1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT Dompé S.P.A. (IT) 1996-05-22 EP claimed
WO-1995004742-A1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE'SPA (IT) 1995-02-16 WO claimed
EP-0712408-B1 TROPYL 7-AZAINDOL-3-YLCARBOXYAMIDES AS ANTITUSSIVE AGENT DOMPE SPA (IT) 1998-10-28 EP disclosed
US-5750536-A ANTI-ASTHMATICS, TREATMENT OF PAIN SENSITIVITY DOMPE ' SPA (IT) 1998-05-12 US 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