SCHEMBL9057541

SCHEMBL9057541

Nc1ccc(CCCc2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.44
GFER P55789 2/20 0.43
MAOA P21397 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR2A P28223 2/20 0.36
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 1/20 0.34
DAO P14920 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL13092524 0.89 GFER (0.52) MAOBGFERMAOATSHRTDP1
SCHEMBL5026313 0.83 IGF1R (0.39) MAOBALDH1A1DAOL3MBTL1
SCHEMBL7819517 0.82 DAO (0.50) MAOBMAOASIGMAR1HTR2ADAO
Hydrochloric Acid SCHEMBL5039722 0.81 IGF1R (0.38) GFERTDP1ALDH1A1DAODRD2
SCHEMBL4573094 0.80 CYP3A4 (0.48) MAOBGFERMAOATSHRTDP1
SCHEMBL5176963 0.79 ESR1 (0.46) ALDH1A1CYP3A4HTR1ATP53KDM4E
SCHEMBL3872946 0.79 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL15599121 0.76 SIGMAR1 (0.47) SIGMAR1KMT2A
SCHEMBL2705361 0.74 L3MBTL1 (0.32) L3MBTL1
SCHEMBL12110702 0.74 GFER (0.77) MAOBGFERMAOASIGMAR1HTR2A

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-1996004246-A1 PHENYLACETAMIDES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1996-02-15 WO disclosed