SCHEMBL19657606

SCHEMBL19657606

Ic1ccc2c(c1)CNCCN2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
TDP2 O95551 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL177194 0.78 DRD2 (0.59) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL3141361 0.77 PNMT (0.56) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL27380716 0.77 HTR5A (0.39) PNMTDRD2DRD4KDM4EMAPT
SCHEMBL2062448 0.77 HTR2A (0.38) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL3136478 0.77 PNMT (0.56) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL30895914 0.77 HTR5A (0.39) PNMTDRD2DRD4KDM4EMAPT
SCHEMBL19657741 0.77 GAA (0.41) PNMTDRD2DRD4KDM4EMAPT
SCHEMBL21760178 0.74 KDM4E (0.48) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL566283 0.74 MAPT (0.54) PNMTADRA2AADRA2BADRA2CDRD2
SCHEMBL21023869 0.73 GAA (0.35) ADRA2AADRA2BADRA2CDRD2DRD4

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed