SCHEMBL9130221

SCHEMBL9130221

CSCCC(NC(C)=O)C(=O)NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.37
CTSD P07339 4/20 0.36
BACE1 P56817 4/20 0.36
DRD1 P21728 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL9130201 0.83 MAPT (0.39) L3MBTL1LMNAALDH1A1CRHBPCRHR2
SCHEMBL9019554 0.83 MAPT (0.39) L3MBTL1LMNAALDH1A1CRHBPCRHR2
SCHEMBL9127050 0.83 ALDH1A1 (0.37) L3MBTL1LMNAALDH1A1CRHBPCRHR2
SCHEMBL9019616 0.83 ALDH1A1 (0.37) L3MBTL1LMNAALDH1A1CRHBPCRHR2
SCHEMBL9127537 0.82 LMNA (0.39) L3MBTL1LMNATSHRALDH1A1
SCHEMBL9019607 0.80 LMNA (0.33) L3MBTL1LMNA
SCHEMBL9131101 0.80 LMNA (0.33) L3MBTL1LMNA
SCHEMBL9019595 0.77 LMNA (0.36) LMNA
SCHEMBL9128912 0.77 LMNA (0.36) LMNA
SCHEMBL9127158 0.74 ALDH1A1 (0.30) ALDH1A1

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-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed