SCHEMBL20070115

SCHEMBL20070115

CN1CCC(N)(NC(=O)CCN2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TERT O14746 1/20 0.41

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
SCHEMBL20070114 0.87 SMN1; SMN2 (0.49) SMN1; SMN2LMNAATMHTTPOLB
SCHEMBL20069553 0.79 DPP4 (0.33) CA1CA2CA9L3MBTL1
SCHEMBL20069636 0.73 RET (0.54) KMT2AMEN1LMNACYP2C19TSHR
SCHEMBL316264 0.73 MAPT (0.67) SMN1; SMN2KMT2AMEN1LMNACYP2C19
SCHEMBL2921484 0.73 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1LMNACYP2C19
SCHEMBL20070365 0.72 RET (0.43) SMN1; SMN2KMT2AMEN1LMNACYP2C19
SCHEMBL20147364 0.71 MEN1 (0.49) SMN1; SMN2KMT2AMEN1LMNACYP2C19
SCHEMBL31053543 0.71 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1LMNACYP2C19
SCHEMBL20070112 0.71 BDKRB2 (0.33) MAPT
SCHEMBL25501931 0.71 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1LMNACYP2C19

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