SCHEMBL25216331

SCHEMBL25216331

CCCc1cc(C)c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 4/20 0.78
▸ GUSB P08236 8/20 0.49
▸ SLC2A1 P11166 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 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
SCHEMBL1252216 0.88 DGAT1 (1.00) DGAT1GUSBSLC2A1
SCHEMBL30385298 0.88 DGAT1 (1.00) DGAT1GUSBSLC2A1
SCHEMBL1252747 0.87 DGAT1 (0.85) DGAT1GUSBSLC2A1MAPTALDH1A1
SCHEMBL1252194 0.86 DGAT1 (0.75) DGAT1GUSBSLC2A1MAPTNPC1
SCHEMBL1252155 0.86 DGAT1 (0.78) DGAT1GUSBSLC2A1NPC1KMT2A
SCHEMBL21354092 0.83 DGAT1 (1.00) DGAT1GUSBSLC2A1NPC1KMT2A
SCHEMBL30565806 0.83 DGAT1 (1.00) DGAT1GUSBSLC2A1NPC1KMT2A
SCHEMBL1252030 0.79 DGAT1 (0.83) DGAT1
SCHEMBL1252922 0.79 DGAT1 (0.72) DGAT1
SCHEMBL31326547 0.79 DGAT1 (0.83) DGAT1

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
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 — — WO disclosed
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