SCHEMBL8046204

SCHEMBL8046204

CCCc1ccc(N(CC)CC)c(CCC)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.33
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PRKCI P41743 1/20 0.30

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
SCHEMBL1711830 0.80 KDM4E (0.39) ALDH1A1GAAMAPTPRKCI
Ammonia Solution, Strong SCHEMBL5848979 0.78 KDM4E (0.38) ALDH1A1GAAPRKCI
SCHEMBL5678255 0.74 PRKCI (0.43) ALDH1A3HCAR3ALDH1A1GAAMAPT
SCHEMBL1955202 0.74 PRKCI (0.37) PRKCI
SCHEMBL981537 0.72 PRKCI (0.48) MAPTPRKCI
SCHEMBL395141 0.71 ALDH1A3 (0.38) ALDH1A3HCAR3ALDH1A1GAAMAPT
Ammonia Solution, Strong SCHEMBL8332432 0.71 PRKCI (0.47) MAPTPRKCI
SCHEMBL8089551 0.70 PRKCI (0.37) ALDH1A1GAAPRKCI
SCHEMBL2494501 0.70 PRKCI (0.33) ALDH1A1GAAPRKCI
SCHEMBL11359127 0.70 NOS2 (0.44) ALDH1A1GAAPRKCI

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-0644193-B1 Process for preparing 2-acetylamino-6-chloropurine JUZEN CHEMICAL CO LTD (JP) 2000-04-26 EP disclosed