SCHEMBL30604697

SCHEMBL30604697

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC3CCOCC3)nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ USP30 Q70CQ3 2/20 0.51
▸ PARP1 P09874 3/20 0.51
▸ GPR119 Q8TDV5 7/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PRKAA2 P54646 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL29085169 1.00 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29085193 0.94 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29085192 0.94 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29085218 0.94 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL30604692 0.94 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL30604698 0.94 MAPT (0.54) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL25738505 0.93 MAPT (0.60) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL30385538 0.93 MAPT (0.60) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29169381 0.91 MEN1 (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29085189 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ATSHR

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
CN-116867783-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-10-10 — — CN disclosed
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