SCHEMBL31512192

SCHEMBL31512192

CC(C)(C)C1CCCCN(Cc2cccc(I)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SIGMAR1 Q99720 7/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ APP P05067 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL13359619 0.81 CNR1 (0.42) NPY1RCNR1CNR2SIGMAR1HTR2A
SCHEMBL13904759 0.77 NPY1R (0.51) NPY1RCNR1CNR2KMT2AF10
SCHEMBL4196013 0.77 NPY1R (0.51) NPY1RCNR1CNR2KMT2AF10
SCHEMBL12142175 0.76 MAPT (0.53) SIGMAR1L3MBTL1
SCHEMBL22623893 0.74 HDAC1 (0.44) MEN1POLBKMT2AL3MBTL1
SCHEMBL8426497 0.74 NPY1R (0.51) NPY1RCNR1CNR2SIGMAR1APP
SCHEMBL30799059 0.73 L3MBTL1 (0.65) SIGMAR1L3MBTL1
SCHEMBL27165584 0.72 L3MBTL1 (0.68) SIGMAR1KMT2AL3MBTL1
SCHEMBL31512198 0.72 L3MBTL1 (0.68) SIGMAR1KMT2AL3MBTL1
SCHEMBL15516474 0.72 L3MBTL1 (0.58) SIGMAR1KMT2AL3MBTL1

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-119968356-A Novel lysyl oxidase selective inhibitors 辛塔拉有限公司 2025-05-09 — — CN disclosed
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