SCHEMBL8977860

SCHEMBL8977860

CC1CN(C)CCC1(OC(=O)O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.77
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 1/20 0.54
DRD3 P35462 1/20 0.54
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 7/20 0.45
OPRK1 P41145 5/20 0.45
OPRD1 P41143 4/20 0.45
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD4 P21917 1/20 0.40

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
SCHEMBL8977857 0.92 LMNA (0.77) LMNANPSR1MAPK1DRD3GAA
Alphaprodine SCHEMBL25054 0.88 LMNA (0.97) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL186644 0.88 LMNA (0.97) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL25053 0.88 LMNA (0.97) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL248367 0.88 LMNA (0.97) LMNANPSR1MAPK1DRD3GAA
Alphaprodine SCHEMBL8818643 0.87 LMNA (1.00) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL394431 0.87 LMNA (1.00) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL1649307 0.86 LMNA (0.93) LMNANPSR1MAPK1DRD3GAA
Proheptazine SCHEMBL25539 0.81 LMNA (0.84) LMNANPSR1MAPK1DRD3GAA
Betaprodine SCHEMBL4283575 0.78 LMNA (0.77) LMNANPSR1MAPK1DRD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501774-B1 Preparation of substituted tetrahydropyridines LILLY CO ELI (US) 1996-04-10 EP disclosed
US-5498718-A FROM 4-CARBONATE-1,3,4-SUBSTITUTED PIPERIDINE ELI LILLY AND COMPANY (US) 1996-03-12 US disclosed
EP-0501774-A1 Preparation of substituted tetrahydropyridines ELI LILLY AND COMPANY (US) 1992-09-02 EP disclosed
US-5136040-A Chemical intermediates ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed