SCHEMBL20069142

SCHEMBL20069142

CN1CCC(Oc2cnccn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
NAAA Q02083 8/20 0.51
EPHX2 P34913 1/20 0.43

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
SCHEMBL8302494 0.92 NAAA (0.55) CHRM2CHRM1NAAAEPHX2
SCHEMBL20147457 0.82 NAAA (0.49) CHRM2CHRM1NAAAEPHX2
SCHEMBL20152050 0.82 CHRM2 (0.48) CHRM2CHRM1NAAAEPHX2
SCHEMBL21664720 0.81 CHRM2 (0.44) CHRM2CHRM1NAAAEPHX2
SCHEMBL10672205 0.79 NAAA (0.52) CHRM2CHRM1NAAAEPHX2
SCHEMBL25910599 0.79 CHRM2 (0.51) CHRM2CHRM1NAAAEPHX2
SCHEMBL20147426 0.78 NAAA (0.52) CHRM2CHRM1NAAAEPHX2
SCHEMBL21004227 0.78 NAAA (0.54) CHRM2CHRM1NAAAEPHX2
SCHEMBL20137677 0.78 EPHX2 (0.55) CHRM2CHRM1NAAAEPHX2
SCHEMBL20137678 0.78 EPHX2 (0.55) CHRM2CHRM1NAAAEPHX2

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