SCHEMBL6142482

SCHEMBL6142482

CN(C)CCCNCc1ccc(CC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRM2 P08172 4/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL11983494 0.82 CHRM2 (0.67) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL6439791 0.81 LMNA (0.43) SIGMAR1HRH3CYP1A2MAOA
SCHEMBL25570588 0.81 CHRM2 (0.65) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL12574650 0.81 SCN8A (0.51) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL27208122 0.81 TDP1 (0.50) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL23242442 0.81 TERT (0.47) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL1443953 0.80 MAOA (0.64) TERTTMEM97SIGMAR1CHRM2MEN1
SCHEMBL2478156 0.79 LTA4H (0.55) TERTCCNA2CDK2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL28446621 0.79 TERT (0.43) TERTCCNA2CDK2TMEM97SIGMAR1
SCHEMBL5915547 0.79 ALDH1A1 (0.47) TERTCCNA2CDK2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506157-A2 AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097575-A2 AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed