SCHEMBL9879560

SCHEMBL9879560

CCc1ccc(C(=O)C(C)N2CC=C(c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
CHRM2 P08172 2/20 0.43
ADRA2B P18089 2/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL9879617 0.81 MAPT (0.53) SIGMAR1MEN1KMT2ASLC6A3SLC6A2
SCHEMBL9879561 0.75 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AHTR1APPARG
SCHEMBL10240614 0.71 LMNA (0.50) SIGMAR1HRH3KCNH2MEN1KMT2A
SCHEMBL25270979 0.71 MEN1 (0.45) SIGMAR1HRH3KCNH2MEN1KMT2A
SCHEMBL895863 0.70 SLC6A3 (0.65) SIGMAR1CHRM2ADRA2BDRD3HRH3
SCHEMBL17644179 0.70 SLC6A3 (0.65) SIGMAR1CHRM2ADRA2BDRD3HRH3
SCHEMBL4231835 0.70 KCNH2 (0.52) SIGMAR1HRH3KCNH2MEN1KMT2A
SCHEMBL14348177 0.69 ALDH1A1 (0.51) MEN1KMT2AMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL17645636 0.69 SLC6A3 (0.63) SIGMAR1CHRM2ADRA2BDRD3HRH3
SCHEMBL9879635 0.68 MEN1 (0.52) HRH3KCNH2MEN1KMT2ASLC6A3

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
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed