SCHEMBL9531072

SCHEMBL9531072

CC(=O)CCC1CC(c2ccc(Cl)cc2)=CCN1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 8/20 0.38
HTR2C P28335 1/20 0.37
MAPKAPK2 P49137 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A3 Q01959 2/20 0.32
UTS2R Q9UKP6 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PTGS2 P35354 1/20 0.31

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
Hydrochloric Acid SCHEMBL9874843 0.85 SIGMAR1 (0.45) NPC1RAB9ASIGMAR1HTR2C
SCHEMBL9879898 0.78 SIGMAR1 (0.44) SIGMAR1LMNA
SCHEMBL6648539 0.78 SIGMAR1 (0.37) SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL9472430 0.75 SIGMAR1 (0.40) NPC1RAB9ASIGMAR1HTR2C
SCHEMBL9874667 0.74 SIGMAR1 (0.46) NPC1RAB9ASIGMAR1HTR2CLMNA
SCHEMBL4790395 0.72 SIGMAR1 (0.50) SIGMAR1HTR2CSLC6A3
SCHEMBL4688277 0.71 RARB (0.44) NPC1RAB9A
SCHEMBL9171148 0.71 SIGMAR1 (0.41) SIGMAR1HTR2CLMNA
SCHEMBL9172360 0.71 GRIN2B (0.34) SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL8970717 0.70 F2 (0.39) LMNAUTS2R

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-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed