SCHEMBL11397476

SCHEMBL11397476

CCCCC#C/C=C/C(Cc1cccc2ccccc12)NC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
CNR2 P34972 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CTNNB1 P35222 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CYP2D6 P10635 2/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
SQLE Q14534 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRB2 P07550 1/20 0.32
MMP9 P14780 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
SCHEMBL11407941 0.83 MME (0.36) SIGMAR1CNR2CTNNB1MMEACE
SCHEMBL7018449 0.79 SIGMAR1 (0.53) SIGMAR1CTNNB1CYP2D6LMNAADRA2A
SCHEMBL11399752 0.78 SIGMAR1 (0.39) SIGMAR1CTNNB1CYP2D6CYP1A2CYP2C19
SCHEMBL9727662 0.72 CTNNB1 (0.45) SIGMAR1CTNNB1CYP2D6CYP1A2CYP2C19
SCHEMBL9631575 0.72 CTNNB1 (0.45) SIGMAR1CTNNB1CYP2D6CYP1A2CYP2C19
SCHEMBL25660784 0.72 CTNNB1 (0.45) SIGMAR1CTNNB1CYP2D6CYP1A2CYP2C19
SCHEMBL9633247 0.71 CYP2D6 (0.65) SIGMAR1CYP2D6LMNAADRA2ASLC6A2
SCHEMBL9633240 0.71 CYP2D6 (0.65) SIGMAR1CYP2D6LMNAADRA2ASLC6A2
SCHEMBL7058293 0.68 KMT2A (0.43) SIGMAR1CNR2NR3C1PGRNR3C2
SCHEMBL16174128 0.66 NR3C1 (0.54) SIGMAR1NR3C1PGRNR3C2CTNNB1

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-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 EP claimed
EP-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 EP disclosed