SCHEMBL17384263

SCHEMBL17384263

C=C(N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)CC)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@@H](N)[C@@H](C)CC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.40
ACE P12821 5/20 0.37
ACE2 Q9BYF1 5/20 0.37
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRND Q07001 1/20 0.34
CTSD P07339 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PTPN1 P18031 1/20 0.34
ANPEP P15144 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34

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
SCHEMBL16645035 0.94 REN (0.42) RENACEACE2TSHRATM
SCHEMBL16645016 0.89 REN (0.42) RENACEACE2TSHRATM
SCHEMBL16645041 0.86 REN (0.44) RENACEACE2CTSDOPRM1
SCHEMBL17384262 0.86 REN (0.38) RENACEACE2ATML3MBTL1
SCHEMBL16645117 0.86 REN (0.40) RENACEACE2TSHRATM
SCHEMBL16645207 0.86 REN (0.40) RENACEACE2TSHRATM
SCHEMBL26536406 0.85 REN (0.40) RENACEACE2TSHRATM
SCHEMBL16645137 0.83 REN (0.41) RENACEACE2TSHRATM
SCHEMBL16645063 0.82 REN (0.41) RENACEACE2TSHRATM
SCHEMBL23656857 0.81 SSTR2 (0.39) RENACEACE2CTSD

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-2015195925-A1 PROTEIN-POLYMER-DRUG CONJUGATES AND METHODS OF USING SAME MERSANA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed