SCHEMBL8718168

SCHEMBL8718168

O=C(NC1CC2CCC(C1)N2CC1CC1)c1c[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.51
CNR2 P34972 1/20 0.49
HTR3A P46098 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
MAP2K1 Q02750 1/20 0.44
ADORA2A P29274 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRL1 P41146 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL8718167 1.00 HTR4 (0.51) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8717827 0.96 CNR2 (0.47) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8717830 0.96 CNR2 (0.47) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8722697 0.95 OPRL1 (0.48) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8722696 0.95 OPRL1 (0.48) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8720701 0.88 CNR2 (0.50) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8720700 0.88 CNR2 (0.50) HTR4CNR2HTR3AHTR3EHTR3B
SCHEMBL8718160 0.86 L3MBTL1 (0.60) HTR3AADORA2AL3MBTL1OPRK1
SCHEMBL8718161 0.86 L3MBTL1 (0.60) HTR3AADORA2AL3MBTL1OPRK1
SCHEMBL8688595 0.85 HTR3A (0.63) CNR2HTR3AHTR3EHTR3BHTR3D

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 1 patent. 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