SCHEMBL8842898

SCHEMBL8842898

CCOOCC(c1ccccc1)N1C(=O)c2cc(CCCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.32
CCKBR P32239 2/20 0.31
CCKAR P32238 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MDM2 Q00987 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL8842822 0.93
SCHEMBL8843400 0.93
SCHEMBL8842764 0.93 SCN9A (0.33) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL8842956 0.92 MDM2 (0.32) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7323240 0.92 SCN9A (0.32) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL7334474 0.87 SCN9A (0.33) SCN9ACCKBRCCKARMEN1ALDH1A1
SCHEMBL8843026 0.86 MEN1 (0.31) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL8843000 0.85 MEN1 (0.32) MEN1ALDH1A1LMNAGLAPOLB
SCHEMBL7329748 0.84
SCHEMBL7329444 0.84

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-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed