SCHEMBL9520409

SCHEMBL9520409

N#Cc1ccc2c(c1)[C@H](O)[C@@H](Br)CO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
DRD3 P35462 10/20 0.45
HCRTR2 O43614 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC9 O60706 4/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9155187 1.00 DRD2 (0.45) DRD2DRD3HCRTR2KDM4EABCB1
SCHEMBL9585392 0.85 DRD2 (0.38) DRD2DRD3HCRTR2KDM4EABCB1
SCHEMBL9585396 0.85 DRD2 (0.38) DRD2DRD3HCRTR2KDM4EABCB1
SCHEMBL9585384 0.85 DRD2 (0.38) DRD2DRD3HCRTR2KDM4EABCB1
SCHEMBL2112722 0.78 DRD2 (0.41) DRD2DRD3HCRTR2LMNA
SCHEMBL2610191 0.78 DRD2 (0.41) DRD2DRD3HCRTR2LMNA
SCHEMBL2610213 0.78 DRD2 (0.41) DRD2DRD3HCRTR2LMNA
SCHEMBL34475660 0.76 GRM7 (0.47) DRD2DRD3HCRTR2
SCHEMBL8090414 0.75 KDM4E (0.56) KDM4EABCB1ABCC9ABCC8KCNJ11
SCHEMBL8090417 0.75 KDM4E (0.56) KDM4EABCB1ABCC9ABCC8KCNJ11

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-0277611-B1 ALKYL-SUBSTITUTED N-BENZOPYRANYL LACTAMES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS ON THE BASIS OF THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
EP-0277611-A2 Alkyl-substituted N-benzopyranyl lactames, process for their preparation, their use and pharmaceutical preparations on the basis of these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 EP disclosed