SCHEMBL19443285

SCHEMBL19443285

COC(C1CCCN1C)[C@@H](C)C(=O)NC(Cc1ccccc1)C(=O)NCCCOC(=O)C(C)N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.41
TSHR P16473 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRND Q07001 1/20 0.40
REN P00797 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL22419948 1.00 TACR2 (0.41) TACR2TSHRCHRNA1CHRNGCHRNB1
SCHEMBL22476555 0.84 TACR2 (0.40) TACR2GAA
SCHEMBL21781844 0.84 MMP2 (0.42) TACR2TSHR
SCHEMBL16645016 0.84 REN (0.42) TSHRCHRNA1CHRNGCHRNB1CHRND
SCHEMBL19647312 0.84 GAA (0.54) TSHRGAA
SCHEMBL18912329 0.84 GAA (0.54) TSHRGAA
SCHEMBL20750962 0.83 GAA (0.41) TACR2TSHRRENGAA
SCHEMBL20862029 0.83 TACR2 (0.38) TACR2TSHRCHRNA1CHRNGCHRNB1
SCHEMBL22810961 0.83 POLB (0.49) GAA
SCHEMBL21699252 0.83 POLB (0.49) GAA

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-3228325-A1 PROTEIN-POLYMER-DRUG CONJUGATES Mersana Therapeutics, Inc. (US) 2017-10-11 EP disclosed