SCHEMBL9303004

SCHEMBL9303004

CCCCCNCc1ccc(C=O)o1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL16901802 0.80 ALDH1A1 (0.53) CHRM2ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL28524361 0.80 ALDH1A1 (0.53) CHRM2ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL25201803 0.80 ALDH1A1 (0.53) CHRM2ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL22230787 0.80 ALDH1A1 (0.53) CHRM2ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL29265122 0.78 ALDH1A1 (0.41) CHRM2ALDH1A1TSHR
SCHEMBL29265102 0.77 CHRM2 (0.43) CHRM2ALDH1A1TSHR
SCHEMBL25590610 0.77 CHRM2 (0.83) CHRM2ALDH1A1TSHRHRH4HRH3
SCHEMBL17512077 0.76 ACHE (0.47) ALDH1A1TSHRHTTL3MBTL1
SCHEMBL14624779 0.75 ALDH1A1 (0.57) CHRM2ALDH1A1TSHRSMN1; SMN2CYP2D6
SCHEMBL9305153 0.75 ALDH1A1 (0.41) ALDH1A1TSHRHRH4HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344974-A Process for the preparation of N-acyl derivatives of 5-aminolevulinic acid, as well as the hydrochloride of the free acid SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHENSFURT (DE) 1994-09-06 US claimed
EP-0584585-A1 Process for the preparation of N-acylderivatives of the acid 5-aminolevulinic and their hydrochlorides SÜDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 1994-03-02 EP claimed
JP-6172281-A None JP disclosed
US-5344974-A Process for the preparation of N-acyl derivatives of 5-aminolevulinic acid, as well as the hydrochloride of the free acid SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHENSFURT (DE) 1994-09-06 US disclosed
JP-H06172281-A PREPARATION OF N-ACYL DERIVATIVE OF 5-AMINOLEVULINIC ACID AS WELL AS HYDROCHLORIDE OF FREE ACID OF THE SAME SUEDZUCKER AG MANNHEIM OCHSENFURT 1994-06-21 JP disclosed
EP-0584585-A1 Process for the preparation of N-acylderivatives of the acid 5-aminolevulinic and their hydrochlorides SÜDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 1994-03-02 EP disclosed