SCHEMBL31207652

SCHEMBL31207652

CC1(C)CC2CCCCN2C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
BRCA1 P38398 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 7/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL14641753 0.71 HSD11B1 (0.34) MEN1MAPTBRCA1KMT2AATM
SCHEMBL3069788 0.68 ALDH1A1 (0.40) MEN1MAPTBRCA1KMT2AATM
SCHEMBL9963153 0.68 HSD11B1 (0.35) MEN1MAPTBRCA1KMT2AATM
SCHEMBL23227409 0.68 MEN1 (0.37) MEN1MAPTBRCA1KMT2AATM
SCHEMBL9265060 0.67
SCHEMBL2139086 0.67
SCHEMBL9265057 0.67
SCHEMBL9255482 0.67 HSD11B1 (0.36) MEN1MAPTBRCA1KMT2AATM
SCHEMBL18122735 0.67 LMNA (0.41) MEN1MAPTBRCA1KMT2AATM
SCHEMBL9260600 0.67 GRM5 (0.40) MEN1MAPTBRCA1KMT2AATM

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
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed