SCHEMBL20069609

SCHEMBL20069609

CC(C)C(N)C(=O)NC1(Cc2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
ADRB2 P07550 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.38
PLAT P00750 1/20 0.37
SLC15A1 P46059 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
XIAP P98170 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTRB1 P17538 3/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL20205889 0.84 RET (0.47) RETADRB2ALDH1A1HTTDPP4
SCHEMBL20147390 0.83 RET (0.46) RETADRB2ALDH1A1HTTDPP4
SCHEMBL22856990 0.81 RET (0.45) RETADRB2ALDH1A1HTTDPP4
SCHEMBL8125084 0.80 ALDH1A1 (0.46) ADRB2ALDH1A1HTTPLATSLC6A2
SCHEMBL7972011 0.80 SLC6A2 (0.37) RETADRB2ALDH1A1HTTDPP4
SCHEMBL7904502 0.77 ADRB2 (0.48) ADRB2ALDH1A1HTTDPP4NPC1
SCHEMBL20068812 0.76 RET (0.48) RETADRB2ALDH1A1HTTDPP4
SCHEMBL20069605 0.76 ADRB2 (0.44) RETADRB2ALDH1A1HTTDPP4
SCHEMBL20147399 0.75 RET (0.47) RETADRB2ALDH1A1HTTDPP4
SCHEMBL20205887 0.75 RET (0.47) RETADRB2ALDH1A1HTTDPP4

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