SCHEMBL4216003

SCHEMBL4216003

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.39
▸ IL23R Q5VWK5 1/20 0.38
▸ BACE1 P56817 7/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ CTSD P07339 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ FNTA P49354 3/20 0.36
▸ FNTB P49356 3/20 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
SCHEMBL29682077 0.97 CALCR (0.40) CALCRIL23RHCRTR1HCRTR2FNTA
SCHEMBL4200033 0.96 CALCR (0.39) CALCRIL23RHCRTR1HCRTR2FNTA
SCHEMBL4200040 0.96 CALCR (0.39) CALCRIL23RHCRTR1HCRTR2FNTA
SCHEMBL31717951 0.93 C5AR1 (0.39) CALCRIL23RFNTAFNTB
SCHEMBL31514341 0.93 BACE1 (0.38) CALCRBACE1BACE2CTSD
SCHEMBL30600995 0.93 SLC15A2 (0.39) BACE1BACE2CTSD
SCHEMBL29833166 0.91 CALCR (0.38) CALCRIL23RHCRTR1HCRTR2
SCHEMBL31320779 0.90 CALCR (0.40) CALCRIL23RHCRTR1HCRTR2
SCHEMBL29904276 0.89 BACE1 (0.41) BACE1BACE2CTSDFNTAFNTB
SCHEMBL29381521 0.89 BACE1 (0.40) BACE1BACE2CTSD

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
WO-2008140477-A9 HYBRID IMMUNOGLOBULINS WITH MOVING PARTS CAPON DANIEL J (US) 2009-10-15 — — WO claimed
EP-2078040-A2 HYBRID IMMUNOGLOBULINS WITH MOVING PARTS Capon, Daniel J. (US) 2009-07-15 — — EP claimed
WO-2008140477-A2 HYBRID IMMUNOGLOBULINS WITH MOVING PARTS CAPON DANIEL J (US) 2008-11-20 — — WO claimed
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