SCHEMBL9526937

SCHEMBL9526937

CC1c2ccccc2CC1(Br)C(=O)CBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.35
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33
GAA P10253 1/20 0.33
SLC6A3 Q01959 5/20 0.33
GCK P35557 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
SCHEMBL9530864 0.83 LMNA (0.37) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL9526982 0.79 CYP2D6 (0.35) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL9527498 0.78 NFKB1 (0.34) ALDH1A1MAPTGAALMNA
SCHEMBL9528035 0.70 PTPN1 (0.38) ALDH1A1
SCHEMBL8734406 0.68 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL855461 0.68 BRD4 (0.41) L3MBTL1ALDH1A1
SCHEMBL9527131 0.68 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL9526960 0.68 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4MTNR1AMTNR1B
SCHEMBL9527406 0.68 SLC6A2 (0.41) CYP2D6SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL9526795 0.67 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed
EP-0183492-A1 Substituted imidazole derivatives and their preparation and use Farmos-Yhtyma Oy (FI) 1986-06-04 EP disclosed