SCHEMBL4416700

SCHEMBL4416700

O=C[CH]CC(=O)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ TAAR1 Q96RJ0 2/20 0.58
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ NOTUM Q6P988 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ DPP8 Q6V1X1 1/20 0.55
▸ DPP7 Q9UHL4 1/20 0.55
▸ HPGD P15428 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52

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
SCHEMBL4417376 0.82 MEN1 (0.58) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL22784252 0.79 NOTUM (0.64) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL4416703 0.79 HDAC3 (0.63) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL1545565 0.78 NPC1 (0.64) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL7929895 0.78 HDAC3 (0.70) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL29676811 0.78 NOTUM (0.62) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL303340 0.78 NOTUM (0.67) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL13487186 0.78 NOTUM (0.67) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL30297726 0.78 NPC1 (0.64) MEN1KMT2AMAPTTAAR1HDAC3
SCHEMBL7299747 0.78 NOTUM (0.62) MEN1KMT2AMAPTTAAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863812-A4 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2009-06-24 — — EP disclosed
EP-1863812-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2007-12-12 — — EP disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 — — WO disclosed
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