SCHEMBL16645016

SCHEMBL16645016

CC[C@H](C)[C@H](N)[C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(=O)[C@H](C)N)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
ACE P12821 6/20 0.39
ACE2 Q9BYF1 5/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRND Q07001 1/20 0.35
CTSD P07339 1/20 0.35

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) RENACEACE2OPRM1OPRD1
SCHEMBL16645063 0.93 REN (0.41) RENACEACE2OPRM1OPRD1
SCHEMBL16645041 0.93 REN (0.44) RENACEACE2OPRM1OPRD1
SCHEMBL16645013 0.91 REN (0.40) RENACEACE2OPRM1OPRD1
SCHEMBL16645091 0.91 REN (0.40) RENACEACE2OPRM1OPRD1
SCHEMBL17381819 0.91 REN (0.40) RENACEACE2OPRM1OPRD1
SCHEMBL17384197 0.89 REN (0.40) RENACEACE2CTSD
SCHEMBL17384263 0.89 REN (0.40) RENACEACE2OPRM1OPRD1
SCHEMBL21251058 0.88 CYP3A4 (0.38) RENACEACE2CTSD
SCHEMBL20750956 0.88 CYP3A4 (0.38) 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 4 patents. 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
WO-2015195917-A1 MONOCLONAL ANTIBODIES AGAINST HER2 EPITOPE AND METHODS OF USE THEREOF MERSANA THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
WO-2015054659-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2015-04-16 WO disclosed
WO-2015054669-A1 PROTEIN-POLYMER-DRUG CONJUGATES ASANA BIOSCIENCES, LLC (US) 2015-04-16 WO disclosed