SCHEMBL8422341

SCHEMBL8422341

CCCN[N+]1(c2cc(CNC(C)=O)c(C)nc2N)C(C)=CNC(=O)C1(C)c1ccc2c(c1)OCO2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SCN9A Q15858 4/20 0.32
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8420334 0.75 TGFBR1 (0.32) MAPTGAACHRM4NPC1RAB9A
SCHEMBL8418937 0.68 — —
SCHEMBL8418974 0.63 F2 (0.31) —
SCHEMBL8420177 0.62 HSD17B10 (0.38) MAPTHTTTSHRSMN1; SMN2GAA
SCHEMBL7555716 0.62 CYP1A2 (0.43) MAPTHTTTSHRSMN1; SMN2GAA
SCHEMBL7824393 0.60 MAPT (0.46) MAPTHTTTSHRNPC1RAB9A
SCHEMBL7410059 0.60 CYP2D6 (0.39) MAPTHTTTSHRSMN1; SMN2MEN1
SCHEMBL7817035 0.58 F2 (0.47) MAPTHTTTSHRMEN1KMT2A
SCHEMBL4991673 0.57 SMN1; SMN2 (0.73) SMN1; SMN2GAANPC1RAB9AMEN1
SCHEMBL23279842 0.53 F2 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E

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-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
Send feedback