SCHEMBL8720697

SCHEMBL8720697

O=C(NC1CC2CCC(C1)N2CCc1ccccc1)c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
HTR3A P46098 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CNR2 P34972 1/20 0.46
ALPL P05186 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTA4H P09960 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD4 P21917 1/20 0.44
POLB P06746 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43

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
SCHEMBL8720692 1.00 ADORA2A (0.49) ADORA2AHTR3AHTR3EHTR3BHTR3D
SCHEMBL8718160 0.90 L3MBTL1 (0.60) ADORA2AHTR3AL3MBTL1
SCHEMBL8718161 0.90 L3MBTL1 (0.60) ADORA2AHTR3AL3MBTL1
SCHEMBL8720700 0.85 CNR2 (0.50) ADORA2AHTR3AHTR3EHTR3BHTR3D
SCHEMBL8720701 0.85 CNR2 (0.50) ADORA2AHTR3AHTR3EHTR3BHTR3D
SCHEMBL8718167 0.84 HTR4 (0.51) ADORA2AHTR3AHTR3EHTR3BHTR3D
SCHEMBL8718168 0.84 HTR4 (0.51) ADORA2AHTR3AHTR3EHTR3BHTR3D
SCHEMBL29406314 0.84 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8688595 0.84 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8717827 0.82 CNR2 (0.47) ADORA2AHTR3AHTR3EHTR3BHTR3D

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