SCHEMBL19445855

SCHEMBL19445855

COc1ccc(N)cc1C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ CAPN1 P07384 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ NAMPT P43490 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33

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
SCHEMBL17949771 0.85 HTR2A (0.41) HTR2AALDH1A1ALOX5
SCHEMBL19445616 0.84 ALDH1A1 (0.40) HTR2ACAPN1ALDH1A1ALOX5LMNA
SCHEMBL19445599 0.84 ALOX5 (0.34) HTR2AALOX5CTSK
SCHEMBL19445598 0.83 ALDH1A1 (0.40) HTR2ACAPN1ALDH1A1ALOX5NAMPT
SCHEMBL13815094 0.80 ALDH1A1 (0.39) HTR2ACAPN1ALDH1A1ALOX5LMNA
SCHEMBL19445603 0.74 KLKB1 (0.39) —
SCHEMBL27676598 0.74 ALDH1A1 (0.37) CAPN1ALDH1A1CTSSL3MBTL1
SCHEMBL19445501 0.73 NPY4R (0.38) ALDH1A1
SCHEMBL3893593 0.73 CAPN1 (0.41) CAPN1CTSK
SCHEMBL19445675 0.72 ALDH1A1 (0.43) ALDH1A1LMNAPOLB

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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