SCHEMBL21257792

SCHEMBL21257792

CN1CC(=O)N(I)c2c(F)cccc2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SLC6A2 P23975 7/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SLC6A4 P31645 5/20 0.33
▸ HRH4 Q9H3N8 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ BRD9 Q9H8M2 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
SCHEMBL21257797 0.76 MEN1 (0.43) AADATKMT2AMEN1SLC6A2SLC6A4
SCHEMBL21257793 0.69 LMNA (0.40) SLC6A2MAOAMAOBSLC6A4SLC6A3
SCHEMBL21257763 0.69 ALDH1A1 (0.36) SLC6A2SLC6A4HRH4SLC6A3HTR7
SCHEMBL21257759 0.69 SLC6A2 (0.40) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL7898062 0.69 KCNH2 (0.44) SLC6A2MAOAMAOBSLC6A4SLC6A3
SCHEMBL5001522 0.68 BMPR1B (0.43) AADATKMT2AMEN1HTR7CHRM1
SCHEMBL8551856 0.67 SRD5A1 (0.45) AADATKMT2AMEN1HTR7CHRM1
SCHEMBL21257760 0.67 HTR5A (0.41) SLC6A2MAOAMAOBSLC6A4HRH4
SCHEMBL21257758 0.66 NOTUM (0.38) AADATKMT2ANOTUM
SCHEMBL21257766 0.64 IKBKB (0.38) KMT2AMEN1

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-2019154261-A1 PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY 南京明德新药研发股份有限公司 2019-08-15 — — WO disclosed
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