SCHEMBL10544136

SCHEMBL10544136

CCN1CCN(C(=O)NC(C(=O)N[C@@H]2CNC2=O)c2cccs2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ LMNA P02545 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
SCHEMBL11404443 1.00 MAPT (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10541610 0.91 NAAA (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10546563 0.90 NAAA (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10545926 0.85 CTSL (0.34) TP53CTSLMEN1KMT2ACCKBR
SCHEMBL11284707 0.85 CTSL (0.34) TP53CTSLMEN1KMT2ACCKBR
SCHEMBL11286273 0.85 CTSL (0.34) TP53CTSLMEN1KMT2ACCKBR
SCHEMBL10695608 0.85 MEN1 (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10546345 0.83 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11404138 0.83 MAPT (0.37) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10678839 0.82 MAPT (0.35) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822788-A MICROBIOCIDES, BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 — — US disclosed
US-4782147-A ANTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-01 — — US disclosed
US-4675397-A MICROBIOCIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-06-23 — — US disclosed
US-4665067-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 — — US disclosed
US-4550105-A BETA-LACTAMASE INHIBITORS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-29 — — US disclosed
EP-0053815-B1 2-OXOAZETIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1985-05-08 — — EP disclosed
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