SCHEMBL11734129

SCHEMBL11734129

c1ccc2c(c1)Nc1ccccc1C1=C2CCNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
PNMT P11086 1/20 0.41
CD44 P16070 1/20 0.41
PDGFRA P16234 1/20 0.39
FER P16591 1/20 0.39
LTK P29376 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
LRRK2 Q5S007 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
PRCP P42785 1/20 0.39
HTR2C P28335 1/20 0.35
MAOA P21397 1/20 0.35
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR5A P47898 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11884931 0.86 PDGFRA (0.46) MAOBPDGFRAFERLTKCDK8
SCHEMBL11774761 0.77 LRRK2 (0.46) MAOBPDGFRAFERLTKCDK8
SCHEMBL11724324 0.76 MAOB (0.39) MAOBPNMTCD44PRCPHTR2C
SCHEMBL10567491 0.73 MEN1 (0.46) MAOBPNMTCD44PRCPHTR2C
SCHEMBL22478702 0.72 ACVR1 (0.50) MAOBPDGFRAFERLTKCDK8
SCHEMBL10734259 0.69 DRD1 (0.54) MAOBHTR2CMAOACYP3A4KDM4E
SCHEMBL11094326 0.68 PNMT (0.65) MAOBPNMTCD44PRCPHTR2C
SCHEMBL11654226 0.68 ACVR1 (0.47) MAOBPDGFRAFERLTKCDK8
SCHEMBL30118299 0.68 NOS2 (0.43) MAOBPDGFRAFERLTKCDK8
SCHEMBL17816635 0.66 LRRK2 (0.59) MAOBPDGFRAFERLTKCDK8

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
US-4002632-A ANTIDEPRESSANTS AKZONA INCORPORATED (US) 1977-01-11 US disclosed