SCHEMBL9526795

SCHEMBL9526795

CCC1(C(=O)Cl)Cc2ccccc2C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HBB P68871 1/20 0.36
SLC6A3 Q01959 4/20 0.34
NR3C1 P04150 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9526960 0.86 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4ALOX15TSHR
SCHEMBL9527131 0.86 CYP2D6 (0.37) CYP2D6SLC6A2SLC6A4ALOX15TSHR
Hydrochloric Acid SCHEMBL9526806 0.85 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4ALOX15TSHR
SCHEMBL9526982 0.82 CYP2D6 (0.35) CYP2D6SLC6A2SLC6A4ALOX15TSHR
SCHEMBL9527406 0.82 SLC6A2 (0.41) CYP2D6SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL856897 0.79 CYP2D6 (0.36) CYP2D6SLC6A2SLC6A4ALOX15TSHR
SCHEMBL25292102 0.70 MAPK1 (0.36) CYP2D6SLC6A2SLC6A4MAPK1MAPT
SCHEMBL19419804 0.69 BRD4 (0.46) CYP2D6SLC6A2SLC6A4TSHRSLC6A3
SCHEMBL856896 0.68 MME (0.41) ALDH1A1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL31034935 0.68 MME (0.41) ALDH1A1ADRA2AADRA2BADRA2CADRA1B

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 4 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
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