SCHEMBL9941763

SCHEMBL9941763

CCCCOC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 4/20 0.39
▸ CHRM4 P08173 4/20 0.39
▸ CHRM5 P08912 4/20 0.39
▸ CHRM1 P11229 4/20 0.39
▸ CHRM3 P20309 4/20 0.39
▸ BCHE P06276 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL30174945 0.93 L3MBTL1 (0.42) BCHEKMT2AMEN1POLBL3MBTL1
SCHEMBL9941131 0.87 KMT2A (0.37) BCHEKMT2AMEN1POLBL3MBTL1
SCHEMBL598928 0.84 SMN1; SMN2 (0.45) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL598929 0.84 SMN1; SMN2 (0.45) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL1742832 0.84 P2RX7 (0.43) KMT2APOLBALDH1A1
SCHEMBL16975191 0.81 MME (0.38) CHRM3KMT2AALDH1A1
SCHEMBL598705 0.81 KLK7 (0.45) HCRTR1HCRTR2
SCHEMBL598704 0.81 KLK7 (0.45) HCRTR1HCRTR2
SCHEMBL9966147 0.80 HCRTR1 (0.39) HCRTR1HCRTR2KMT2AMEN1L3MBTL1
SCHEMBL598932 0.80 BRD4 (0.42) HCRTR1HCRTR2KMT2AMEN1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 — — EP disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — WO disclosed
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