SCHEMBL10550402

SCHEMBL10550402

CC(c1ccc(Cl)cc1)C(C)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
AKT1 P31749 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
ADRA2B P18089 2/20 0.33
HRH2 P25021 2/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL11949354 0.74 ADRB2 (0.62) ADRB2AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL10639995 0.73 POLB (0.40) ADRB2SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL22871202 0.73
SCHEMBL1231310 0.70
SCHEMBL30054328 0.70
SCHEMBL1991386 0.69 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRM2CHRM5
SCHEMBL10547435 0.69 ADRA2A (0.31) SLC6A2ADRA2BKCNH2TSHRCYP2D6
SCHEMBL4350639 0.69
Bromide SCHEMBL9789362 0.68
SCHEMBL32672926 0.68 CYP1A2 (0.38) SLC6A2SLC6A4SLC6A3CHRM2CHRM5

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
US-4826864-A Substituted imidazole derivatives useful as antihypertensive or antithromtic agent or divretic FARMOS GROUP LTD. (FI) 1989-05-02 US disclosed
US-4639464-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1987-01-27 US disclosed
EP-0072615-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1985-12-27 EP disclosed
US-4544664-A Antihypertensive substituted imidazole derivatives FARMOS GROUP, LTD. (FI) 1985-10-01 US disclosed
EP-0072615-A1 Substituted imidazole derivatives and their preparation and use Farmos Group Ltd. (FI) 1983-02-23 EP disclosed