SCHEMBL20630554

SCHEMBL20630554

CN[C@@]1(Cc2ccccc2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BACE1 P56817 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TACR1 P25103 1/20 0.37
TACR3 P29371 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL21895900 1.00 LMNA (0.42) LMNAHTTNPSR1L3MBTL1ELANE
SCHEMBL21896535 0.81 MAOA (0.39) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL6138472 0.69 MAOA (0.48) HTTMAOAMAOBOPRM1OPRL1
SCHEMBL11481803 0.69 GRIN1 (0.42) LMNAHTTELANEMAOAMAOB
SCHEMBL24817597 0.69 LMNA (0.40) LMNAHTTOPRM1
SCHEMBL28269258 0.68 HTT (0.37) LMNAHTTNPSR1L3MBTL1MAOA
SCHEMBL3284001 0.68 ELANE (0.55) LMNAHTTNPSR1L3MBTL1ELANE
SCHEMBL28538161 0.68 ELANE (0.55) LMNAHTTNPSR1L3MBTL1ELANE
Hydrochloric Acid SCHEMBL30175029 0.68 MAOA (0.47) HTTMAOAMAOBOPRM1OPRL1
SCHEMBL28819418 0.67 LMNA (0.47) LMNAHTTNPSR1L3MBTL1ELANE

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-3424941-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2019-01-09 EP disclosed