SCHEMBL9549999

SCHEMBL9549999

COc1cc(Br)c(OC)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.69
DRD2 P14416 3/20 0.65
DRD3 P35462 3/20 0.65
DRD4 P21917 2/20 0.65
MEN1 O00255 1/20 0.65
HTR1A P08908 1/20 0.65
ADRA2A P08913 1/20 0.65
CYP2D6 P10635 1/20 0.65
ADRA2C P18825 1/20 0.65
CYP2C19 P33261 1/20 0.65
ADRA1A P35348 1/20 0.65
HTR2B P41595 1/20 0.65
KMT2A Q03164 1/20 0.65
KCNH2 Q12809 1/20 0.65
HIF1A Q16665 1/20 0.65

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
SCHEMBL9550009 1.00 SIGMAR1 (0.69) SIGMAR1DRD2DRD3DRD4MEN1
SCHEMBL9550080 0.93 DRD2 (0.70) SIGMAR1DRD2DRD3DRD4
SCHEMBL9550088 0.93 DRD2 (0.70) SIGMAR1DRD2DRD3DRD4
SCHEMBL9549974 0.93 DRD2 (0.77) SIGMAR1DRD2DRD3DRD4
SCHEMBL9549957 0.93 DRD2 (0.77) SIGMAR1DRD2DRD3DRD4
SCHEMBL10695864 0.92 SIGMAR1 (0.77) SIGMAR1DRD2DRD3DRD4MEN1
SCHEMBL9550067 0.86 DRD2 (0.85) SIGMAR1DRD2DRD3DRD4MEN1
SCHEMBL9550074 0.86 DRD2 (0.85) SIGMAR1DRD2DRD3DRD4MEN1
SCHEMBL10762595 0.85 DRD3 (0.77) SIGMAR1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL10695368 0.83 DRD2 (0.76) SIGMAR1DRD2DRD3DRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US disclosed
EP-0156776-B1 DERIVATIVES OF N-(2-PYRROLIDINYLMETHYL)-BENZAMIDE, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1989-03-29 EP disclosed
EP-0156776-A1 Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-10-02 EP disclosed