SCHEMBL20069438

SCHEMBL20069438

CC(I)N1CCC(C)(NC(=O)CC2CNC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.33
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL20147340 0.89 EPHX1 (0.34) EPHX1SMYD3
SCHEMBL20069718 0.76 EPHX1 (0.39) EPHX1SMYD3
SCHEMBL20147339 0.69 WNT1 (0.37) SMYD3
SCHEMBL18314607 0.66 CTSL (0.39) EPHX1
SCHEMBL20147475 0.66 CCR1 (0.34)
SCHEMBL17033020 0.66 EPHX1 (0.41) EPHX1
SCHEMBL20147467 0.65 TP53 (0.38)
SCHEMBL19009045 0.65 CHRNB2 (0.44) EPHX1
SCHEMBL20147307 0.64 SIGMAR1 (0.32)
SCHEMBL20147471 0.63 SIGMAR1 (0.37)

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