SCHEMBL26527755

SCHEMBL26527755

CSc1ncc(C#CCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)C(C)C)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 9/20 0.39
▸ SUCNR1 Q9BXA5 3/20 0.34
▸ PSEN1 P49768 3/20 0.33
▸ PSEN2 P49810 3/20 0.33
▸ APH1B Q8WW43 3/20 0.33
▸ NCSTN Q92542 3/20 0.33
▸ APH1A Q96BI3 3/20 0.33
▸ PSENEN Q9NZ42 3/20 0.33
▸ SCTR P47872 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ ATM Q13315 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL31538101 1.00 GLP1R (0.39) GLP1RSUCNR1PSEN1PSEN2APH1B
SCHEMBL30604905 0.98 GLP1R (0.39) GLP1RSUCNR1PSEN1PSEN2APH1B
SCHEMBL24642859 0.91 TDP1 (0.36) SUCNR1TDP1ATMMAPTMEN1
SCHEMBL31538096 0.86 NPSR1 (0.38) GLP1RSUCNR1TDP1ATMMAPT
SCHEMBL26527638 0.86 NPSR1 (0.38) GLP1RSUCNR1TDP1ATMMAPT
SCHEMBL26528590 0.84 TDP1 (0.40) SUCNR1TDP1ATMMAPTMEN1
SCHEMBL24642860 0.81 CA2 (0.36) SUCNR1TDP1ATMMAPTMEN1
SCHEMBL30604904 0.79 FOLH1 (0.41) GLP1RSUCNR1
SCHEMBL30604918 0.78 FOLH1 (0.43) SUCNR1MAPTMEN1KMT2ANPSR1
SCHEMBL26527705 0.78 FOLH1 (0.43) SUCNR1MAPTMEN1KMT2ANPSR1

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-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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