SCHEMBL16598484

SCHEMBL16598484

Cc1cc(Cc2ccccn2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 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
SCHEMBL15711264 0.76 CYP11B1 (0.49) TSHR
SCHEMBL16598261 0.75 HRH3 (0.44) LMNATAAR1ALDH1A1ALOX15L3MBTL1
SCHEMBL16598178 0.71 HRH3 (0.44) LMNATAAR1ALDH1A1ALOX15L3MBTL1
SCHEMBL6648949 0.71 HPGD (0.38) LMNA
SCHEMBL41191 0.70 L3MBTL1 (0.59) LMNATAAR1ALDH1A1ALOX15L3MBTL1
SCHEMBL29830938 0.70 L3MBTL1 (0.59) LMNATAAR1ALDH1A1ALOX15L3MBTL1
SCHEMBL15034180 0.69 MAPT (0.49) LMNAALDH1A1KDM4EMAPTBRD4
SCHEMBL10513619 0.68 NPC1 (0.46) LMNAALDH1A1ALOX15L3MBTL1TSHR
SCHEMBL4938201 0.68 L3MBTL1 (0.57) LMNATAAR1ALDH1A1ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL10884973 0.68 L3MBTL1 (0.57) LMNATAAR1ALDH1A1ALOX15L3MBTL1

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
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed