SCHEMBL8793685

SCHEMBL8793685

CCCNC(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL9023031 0.86 NAAA (0.48) SIGMAR1ALDH1A1POLBMAPTHTR2A
Hydrochloric Acid SCHEMBL6261405 0.84 NAAA (0.47) SIGMAR1CYP3A4ALOX15TSHRALDH1A1
SCHEMBL13884351 0.77 SMN1; SMN2 (0.50) SIGMAR1ALDH1A1LMNAOPRM1CASR
SCHEMBL1118824 0.75 MTOR (0.74) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL250445 0.74 SMN1; SMN2 (0.40) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL12964248 0.74 CYP3A4 (0.68) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL12964253 0.74 CYP3A4 (0.68) SIGMAR1MTORRAB9AGRM7CYP3A4
SCHEMBL172559 0.74 CYP3A4 (0.68) SIGMAR1MTORRAB9AGRM7CYP3A4
Hydrochloric Acid SCHEMBL565469 0.73 SMN1; SMN2 (0.39) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL13884377 0.73 HDAC4 (0.45) MTORRAB9AGRM7CYP3A4ALOX15

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-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 EP disclosed
CN-1035552-C branched alkylamino derivatives of thiazoles, process for their preparation and pharmaceutical compositions containing them SANOFI ELF (FR) 1997-08-06 CN disclosed
US-5464847-A Moduators of corticotropin releasing factor ELF SANOFI (FR) 1995-11-07 US disclosed
CN-1085898-A branched alkylamino derivatives of thiazoles, process for their preparation and pharmaceutical compositions containing them SANOFI ELF (FR) 1994-04-27 CN disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed