SCHEMBL7006317

SCHEMBL7006317

O=CC1CCc2[nH]cnc2C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.41
ADRA1D P25100 1/20 0.35
HTR3A P46098 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32

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
SCHEMBL11836199 0.74 ADRA1A (0.42) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL6847058 0.74 ADRA1A (0.42) ADRA1AADRA1DOPRK1
Hydrochloric Acid SCHEMBL3453049 0.73 ADRA1A (0.41) ADRA1AADRA1DOPRK1
Hydrochloric Acid SCHEMBL1844678 0.71 ADRA1A (0.41) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL13531413 0.71 HTR3A (0.42) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL7332677 0.71 HTR3A (0.39) ADRA1AADRA1DHTR3AADRA2AADRA2B
Hydrochloric Acid SCHEMBL9049059 0.70 HTR3A (0.39) ADRA1AADRA1DHTR3AADRA2AADRA2B
SCHEMBL20972935 0.69
SCHEMBL20972936 0.69
SCHEMBL6850928 0.69 HTR3A (0.38) ADRA1AADRA1DHTR3AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed