SCHEMBL8356443

SCHEMBL8356443

O=C(CN1CCN(c2ccccc2F)CC1)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ DRD2 P14416 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ TSHR P16473 4/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ SLC27A1 Q6PCB7 1/20 0.56
▸ BCHE P06276 1/20 0.55
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GFER P55789 1/20 0.51

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
SCHEMBL8358212 0.86 SLC27A1 (0.62) ALDH1A1LMNATSHRSLC27A1BCHE
SCHEMBL8354101 0.80 SLC27A1 (0.66) ALDH1A1LMNAKDM4EDRD2DRD3
SCHEMBL8358040 0.79 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ETSHRHSD17B10
SCHEMBL27927214 0.78 LMNA (0.52) ALDH1A1LMNATSHRL3MBTL1SLC27A1
SCHEMBL8353817 0.77 ALDH1A1 (0.70) ALDH1A1LMNAKDM4EDRD2DRD3
SCHEMBL29057509 0.75 OGA (0.48) ALDH1A1LMNABCHEMEN1KMT2A
SCHEMBL27008691 0.74 OGA (0.66) LMNAKMT2A
SCHEMBL4861743 0.73 GAA (0.62) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL9332450 0.73 GAA (0.62) ALDH1A1LMNAKDM4ETSHRMEN1
SCHEMBL8351069 0.73 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ETSHRHSD17B10

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-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 — — WO disclosed
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