SCHEMBL20069607

SCHEMBL20069607

CN(C)CC(=O)NC1(Cc2ccccc2)CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RET P07949 1/20 0.46
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSL P07711 1/20 0.43
DPP4 P27487 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
KDM4E B2RXH2 1/20 0.40
BDKRB2 P30411 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL20147409 0.86 RET (0.44) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069608 0.85 ADRB2 (0.49) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069533 0.83 ADRB2 (0.47) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069529 0.82 ALDH1A1 (0.45) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069601 0.81 DPP4 (0.49) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069536 0.81 RET (0.47) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL25502319 0.79 DPP4 (0.50) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069599 0.78 RET (0.45) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20069597 0.76 RET (0.46) ADRB2ALDH1A1HTTRETCTSS
SCHEMBL20205889 0.75 RET (0.47) ADRB2ALDH1A1HTTRETCTSS

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed