SCHEMBL7614073

SCHEMBL7614073

CCOC(=O)C1(C(C#N)N[C@@H](Cc2ccc(C)cc2)c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
ANPEP P15144 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMB5 P28074 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
SCHEMBL7864103 0.88 CYP3A4 (0.43) SMN1; SMN2CYP2C9CYP3A4CYP2C19LMNA
SCHEMBL7614012 0.82 CYP3A4 (0.40) SMN1; SMN2CYP2C9ANPEPCYP3A4CYP2C19
SCHEMBL7614988 0.82 CYP3A4 (0.40) SMN1; SMN2CYP2C9ANPEPCYP3A4CYP2C19
SCHEMBL7613269 0.82 CYP3A4 (0.40) SMN1; SMN2CYP2C9ANPEPCYP3A4CYP2C19
SCHEMBL7611749 0.82 CYP3A4 (0.40) SMN1; SMN2CYP2C9ANPEPCYP3A4CYP2C19
SCHEMBL7619724 0.82 CYP3A4 (0.40) SMN1; SMN2CYP2C9ANPEPCYP3A4CYP2C19
SCHEMBL5498263 0.79 ATM (0.34) L3MBTL1ATMCTSLCTSKSMN1; SMN2
SCHEMBL5491867 0.79 ATM (0.34) L3MBTL1ATMCTSLCTSKSMN1; SMN2
SCHEMBL7862909 0.76 PPID (0.43) L3MBTL1ATMSMN1; SMN2CYP2C9CYP2D6
SCHEMBL7957020 0.72 OPRM1 (0.38) SMN1; SMN2ANPEPMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829473-B1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2002-08-07 EP disclosed
EP-1148047-A2 Processes for preparing cyclic compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-6218548-B1 (TRIARYLMETHYL)AMINOSPIROPYRROLES DAIICHI PAHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed
US-6013806-A ANTIBACTEIRAL DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP disclosed