SCHEMBL8718161

SCHEMBL8718161

O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
JAK1 P23458 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR3A P46098 1/20 0.52
ADORA2A P29274 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
OPRK1 P41145 1/20 0.50

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
SCHEMBL8718160 1.00 L3MBTL1 (0.60) L3MBTL1JAK1MEN1KMT2AHTR3A
SCHEMBL8720697 0.90 ADORA2A (0.49) L3MBTL1HTR3AADORA2A
SCHEMBL8720692 0.90 ADORA2A (0.49) L3MBTL1HTR3AADORA2A
SCHEMBL8720701 0.87 CNR2 (0.50) HTR3AADORA2A
SCHEMBL8720700 0.87 CNR2 (0.50) HTR3AADORA2A
SCHEMBL8718167 0.86 HTR4 (0.51) L3MBTL1HTR3AADORA2AOPRK1
SCHEMBL8718168 0.86 HTR4 (0.51) L3MBTL1HTR3AADORA2AOPRK1
SCHEMBL8717830 0.84 CNR2 (0.47) HTR3AADORA2AOPRK1
SCHEMBL8717827 0.84 CNR2 (0.47) HTR3AADORA2AOPRK1
SCHEMBL8722697 0.83 OPRL1 (0.48) MEN1KMT2AHTR3AADORA2AOPRK1

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