SCHEMBL20069722

SCHEMBL20069722

CN(C)CC1(NC(=O)OCC2CC2)CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.43
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC3 O15379 2/20 0.35
CHRM3 P20309 8/20 0.33
BCHE P06276 2/20 0.32
KDM1A O60341 1/20 0.32
JMJD6 Q6NYC1 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
SCHEMBL20147513 0.86 RET (0.42) RETCHRM3BCHE
SCHEMBL20069719 0.81 RET (0.41) RET
SCHEMBL20069701 0.81 RET (0.37) RETHDAC1HDAC2HDAC3CHRM3
SCHEMBL22857038 0.80 HDAC1 (0.42) RETHDAC1HDAC2HDAC3CHRM3
SCHEMBL20069713 0.80 RET (0.42) RET
SCHEMBL20069723 0.80 RET (0.42) RET
SCHEMBL20158431 0.71 RET (0.39) RET
SCHEMBL20069525 0.70 RET (0.41) RET
SCHEMBL20069711 0.70 RET (0.40) RET
SCHEMBL20148067 0.70 RET (0.40) RET

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