SCHEMBL27830224

SCHEMBL27830224

CC(C)(C)C(=O)OC1(CC#N)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 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
SCHEMBL23119998 0.84
SCHEMBL23276792 0.81 ACHE (0.31)
SCHEMBL28106912 0.79 KDM4E (0.33)
SCHEMBL28835285 0.77 KDM4E (0.30)
SCHEMBL27830203 0.76 KDM4E (0.32)
SCHEMBL28114836 0.76 PRKCA (0.32)
SCHEMBL28023233 0.75 CYP4F2 (0.32)
SCHEMBL28023823 0.75 KDM4E (0.31) OPRM1
SCHEMBL28023211 0.75 OPRM1 (0.33) OPRM1
SCHEMBL28290792 0.74 CYP2D6 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108659005-B Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2019-05-07 CN disclosed
CN-108640928-B Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2019-05-03 CN disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed