SCHEMBL9526982

SCHEMBL9526982

CCC1(C(=O)CBr)Cc2ccccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.35
SLC6A2 P23975 8/20 0.35
SLC6A4 P31645 8/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR3C1 P04150 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HBB P68871 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
SCHEMBL9527131 0.84 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL9526960 0.84 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4NR3C1ALDH1A1
SCHEMBL9527406 0.83 SLC6A2 (0.41) CYP2D6SLC6A2SLC6A4NR3C1ALDH1A1
SCHEMBL9526795 0.82 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
Hydrochloric Acid SCHEMBL9526806 0.82 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL9526937 0.79 CYP2D6 (0.35) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL856897 0.74 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4OPRM1OPRD1
SCHEMBL856751 0.70 MME (0.40) ALDH1A1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL30645250 0.70 MME (0.40) ALDH1A1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL9530864 0.68 LMNA (0.37) 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