SCHEMBL9787678

SCHEMBL9787678

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)C(F)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.47
▸ PSEN1 P49768 3/20 0.46
▸ PSEN2 P49810 3/20 0.46
▸ APH1B Q8WW43 3/20 0.46
▸ NCSTN Q92542 3/20 0.46
▸ APH1A Q96BI3 3/20 0.46
▸ PSENEN Q9NZ42 3/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ NPBWR1 P48145 10/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9787693 0.84 MMP1 (0.55) CAPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL20168642 0.78 SLC6A4 (0.53) CAPN1SLC6A4
SCHEMBL20168641 0.78 SLC6A4 (0.53) CAPN1SLC6A4
SCHEMBL26073693 0.75 SLC6A4 (0.53) SLC6A4TDP1
SCHEMBL5806608 0.74 SLC6A4 (0.54) SLC6A4TDP1
SCHEMBL6229483 0.74 SLC6A4 (0.41) SLC6A4TDP1
SCHEMBL26073698 0.74 KMT2A (0.61) SLC6A4NPBWR1TDP1
SCHEMBL9787708 0.72 IL1RN (0.50) —
SCHEMBL30052459 0.72 ECE1 (0.61) MMP1
SCHEMBL1237981 0.71 IL1RN (0.67) MMP1

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
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 — — US disclosed
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