SCHEMBL23849039

SCHEMBL23849039

COC(=O)[Si@@H](N)CCC(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 3/20 0.43
NAMPT P43490 3/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
TSHR P16473 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
ESR2 Q92731 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL25508997 0.83 MAPK1 (0.43) MAPK1NOTUMNAMPTMAPTMEN1
SCHEMBL23849027 0.77 NOTUM (0.56) MAPK1NOTUMMAPTMEN1KMT2A
SCHEMBL25509005 0.75 BACE1 (0.46) NOTUM
SCHEMBL23849032 0.75 NOTUM (0.48) MAPK1NOTUMMAPTMEN1KMT2A
SCHEMBL15522954 0.73 MEN1 (0.55) MAPK1NOTUMNAMPTMEN1KMT2A
SCHEMBL21505062 0.72 MAPK1 (0.59) MAPK1NAMPTMAPTNR1H2GPR119
SCHEMBL6615609 0.71 FNTA (0.50) MAPK1NAMPTLIPG
SCHEMBL5849947 0.71 MAPK1 (0.52) MAPK1NAMPTMAPTMEN1KMT2A
SCHEMBL20957003 0.71 DRD2 (0.58) MAPK1NOTUMMAPTMEN1KMT2A
SCHEMBL15523452 0.70 MAPK1 (0.48) MAPK1NAMPTMEN1KMT2ANR1H2

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-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed