SCHEMBL9629802

SCHEMBL9629802

CC(Cc1ccc(C(C)(C)C)cc1)CN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.60
EBP Q15125 1/20 0.60
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 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
SCHEMBL9370705 0.88 SIGMAR1 (0.63) SIGMAR1EBPADORA3CHRM1DRD3
Fenpropidin SCHEMBL8445539 0.86 SIGMAR1 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
Fenpropidin SCHEMBL21278 0.86 SIGMAR1 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
Fenpropidin SCHEMBL8148240 0.86 SIGMAR1 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
Fenpropidin SCHEMBL9020970 0.86 SIGMAR1 (0.62) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11379656 0.86 ADORA3 (0.49) SIGMAR1EBPADORA3CHRM1DRD3
Hydrochloric Acid SCHEMBL11390179 0.85 ADORA3 (0.48) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL11489026 0.84 SIGMAR1 (0.63) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL9549842 0.84 SIGMAR1 (0.59) SIGMAR1EBPADORA3CHRM1DRD3
SCHEMBL16880327 0.82 SIGMAR1 (0.58) SIGMAR1EBPADORA3CHRM1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327912-B1 N,N-DISUBSTITUTED PIPERAZINES BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed
EP-0327912-A1 N,N-disubstituted piperazines BASF Aktiengesellschaft (DE) 1989-08-16 EP disclosed
US-4599335-A FUNGICIDES, BACTERICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0094562-B1 DIAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1984-12-05 EP disclosed
EP-0094562-A1 Diamine derivatives, process for their production and their use as fungicides BASF Aktiengesellschaft (DE) 1983-11-23 EP disclosed