SCHEMBL8446073

SCHEMBL8446073

CCCNCc1c(C)cc(OC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ CRHR1 P34998 5/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ PAX8 Q06710 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
Hydrochloric Acid SCHEMBL8444362 0.98 RAD52 (0.36) SCN8ACHRM2CYP3A4HPGDALDH1A1
SCHEMBL13330470 0.77 MEN1 (0.49) CHRM2ALDH1A1HTR1AHTR1DHTR1B
SCHEMBL13067432 0.73 ALDH1A1 (0.48) CYP3A4HPGDALDH1A1
SCHEMBL19657536 0.72 SLC6A4 (0.42) SCN8ACHRM2CYP3A4HTR1B
SCHEMBL15865628 0.71 APLNR (0.48) ALDH1A1HTR2AHTR2C
SCHEMBL25471395 0.70 HTR2A (0.47) CHRM2ALDH1A1HTR1AHTR1DHTR1B
SCHEMBL13114968 0.70 CD274 (0.48) HTR1AHTR1DHTR1BHTR2AHTR2C
Formic Acid SCHEMBL6324510 0.70 MEN1 (0.50) CHRM2ALDH1A1
SCHEMBL4030406 0.69 CHRM2 (0.70) SCN8ACHRM2ALDH1A1HTR2ARAD52
SCHEMBL3264888 0.68 APLNR (0.50) SCN8ACHRM2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-B1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS BRITISH TECH GROUP INT (GB) 1999-04-28 — — EP disclosed
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