SCHEMBL20069710

SCHEMBL20069710

CC(C)C(C)C(=O)NC1CCN(C)CC1O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CTSK P43235 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL18347993 0.87 CHRNB4 (0.36) CHRNB4CHRNA3CTSKSSTR1SSTR4
SCHEMBL20147505 0.83 CHRNB4 (0.37) RETCHRNB4CHRNA3CTSK
SCHEMBL21651943 0.81 CHRNB4 (0.38) RETCHRNB4CHRNA3CTSKKDM4E
SCHEMBL20147928 0.81 CHRNB4 (0.35) RETCHRNB4CHRNA3CTSK
SCHEMBL20158582 0.79 CHRNB4 (0.34) RETCHRNB4CHRNA3CTSK
SCHEMBL15980408 0.78 OGA (0.38) SSTR1SSTR4
SCHEMBL20070143 0.77 HSD11B1 (0.40) RETCHRNB4CHRNA3CTSKSSTR1
SCHEMBL20069720 0.77 SMN1; SMN2 (0.39) RETCTSKSSTR1SSTR4
SCHEMBL20148065 0.75 RET (0.38) RETSSTR1SSTR4
SCHEMBL18361599 0.74 SSTR1 (0.37) SSTR1SSTR4

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