SCHEMBL9370705

SCHEMBL9370705

CC(Cc1ccc(C(C)(C)C)cc1)CN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.63
EBP Q15125 1/20 0.63
KCNH2 Q12809 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HRH3 Q9Y5N1 2/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
Fenpropidin SCHEMBL8148240 0.98 SIGMAR1 (0.62) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropidin SCHEMBL9020970 0.98 SIGMAR1 (0.62) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropidin SCHEMBL21278 0.98 SIGMAR1 (0.62) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropidin SCHEMBL8445539 0.98 SIGMAR1 (0.62) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL9629802 0.88 SIGMAR1 (0.60) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL11489026 0.86 SIGMAR1 (0.63) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL9549842 0.86 SIGMAR1 (0.59) SIGMAR1EBPKCNH2ADORA3CHRM1
Fenpropimorph SCHEMBL465559 0.86 SIGMAR1 (0.86) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL8789772 0.86 KDM4E (0.57) SIGMAR1EBPKCNH2ADORA3CHRM1
SCHEMBL9297202 0.85 ADORA3 (0.64) SIGMAR1EBPKCNH2ADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309913-B1 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF AG (DE) 1994-06-15 EP disclosed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
US-5068246-A Plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0243940-B1 PHENYL- AND CYCLOHEXYL-ISOBUTYLPYRROLIDINE BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed
EP-0309913-A2 Fungicidal N-substituted 3-aryl-pyrrolidine derivatives BASF Aktiengesellschaft (DE) 1989-04-05 EP disclosed
EP-0243940-A2 Phenyl- and cyclohexyl-isobutylpyrrolidine BASF Aktiengesellschaft (DE) 1987-11-04 EP disclosed
EP-0032673-B1 N-(3(4'-TERT.BUTYL-CYCLOHEX-1'-EN-1'-YL)-2-METHYL-PROPYL-1)-SUBSTITUTED 2,6-DIMETHYLMORPOLINE, PIPERIDINE, AND PYRROLIDINE, THEIR PREPARATION AND USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1983-12-21 EP disclosed
US-4283534-A Reductive alkylation of nitrogen heterocycles BASF AKTIENGESELLSCHAFT (DE) 1981-08-11 US disclosed
EP-0032673-A1 N-(3(4'-tert.butyl-cyclohex-1'-en-1'-yl)-2-methyl-propyl-1)-substituted 2,6-dimethylmorpoline, piperidine, and pyrrolidine, their preparation and use as fungicides BASF Aktiengesellschaft (DE) 1981-07-29 EP disclosed