SCHEMBL21649698

SCHEMBL21649698

CCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.44
▸ FAP Q12884 5/20 0.42
▸ HTT P42858 1/20 0.39
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDF Q9HBH1 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
SCHEMBL22336596 1.00 FURIN (0.44) FURINFAPHTTMAP1LC3BSMN1; SMN2
SCHEMBL24520454 0.94 FAP (0.47) FURINFAPHTTMAP1LC3BNPY1R
SCHEMBL9943152 0.94 FAP (0.47) FURINFAPHTTMAP1LC3BNPY1R
SCHEMBL18244335 0.93 FAP (0.40) FURINFAPHTTMAP1LC3BSMN1; SMN2
SCHEMBL18244334 0.93 FAP (0.40) FURINFAPHTTMAP1LC3BSMN1; SMN2
SCHEMBL22746548 0.93 FAP (0.42) FURINFAPMAP1LC3BNPY1RNPY2R
SCHEMBL24028236 0.93 FAP (0.42) FURINFAPMAP1LC3BNPY1RNPY2R
SCHEMBL21883412 0.92 FURIN (0.42) FURINFAPHTTMAP1LC3BSMN1; SMN2
SCHEMBL24916473 0.92 FURIN (0.42) FURINFAPHTTMAP1LC3BSMN1; SMN2
SCHEMBL22336599 0.91 FAP (0.40) FURINFAPHTTPDF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137502-A2 PNU ANTHRACYCLINE-DERIVED LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — WO disclosed
WO-2023002415-A2 METHODS AND COMPOSITIONS FOR ANTI-CD117 ANTIBODY DRUG CONJUGATE (ADC) TREATMENT Magenta Therapeutics, Inc. (US) 2023-01-26 — — WO disclosed
WO-2020247670-A1 METHODS AND COMPOSITIONS FOR TREATING AUTOIMMUNE DISEASES Magenta Therapeutics, Inc. (US) 2020-12-10 — — WO disclosed
WO-2020219964-A1 CONDITIONING METHODS FOR GENE THERAPY Magenta Therapeutics, Inc. (US) 2020-10-29 — — WO disclosed
WO-2020219748-A2 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. (US) 2020-10-29 — — WO disclosed
WO-2020146432-A1 USE OF AN ANTI-CD45 ANTIBODY DRUG CONJUGATE (ADC) IN CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-07-16 — — WO disclosed
WO-2020023559-A1 USE OF AN ANTI-CD2 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 — — WO disclosed
WO-2020023556-A1 USE OF ANTI-CD137 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 — — WO disclosed
WO-2020023561-A1 USE OF ANTI-CD5 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 — — WO disclosed
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