SCHEMBL29531712

SCHEMBL29531712

C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.42
▸ DPP7 Q9UHL4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ NPY5R Q15761 5/20 0.36
▸ NPY4R P50391 5/20 0.36
▸ NPY1R P25929 4/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ NPY2R P49146 2/20 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
SCHEMBL31019315 0.99 PRCP (0.41) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL30416888 0.95 MAPK8 (0.42) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL29947814 0.92 PRCP (0.44) PRCPDPP7MEN1KMT2AGHSR
SCHEMBL29496543 0.91 MEN1 (0.44) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL6520003 0.90 MAPK8 (0.45) MAPK8MAPK9MAPK10NPY5RNPY4R
SCHEMBL31720924 0.90 PRCP (0.41) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL29531541 0.90 PRCP (0.41) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL30844263 0.90 KDM1A (0.45) MAPK8MAPK9MAPK10GHSRKDM1A
SCHEMBL30686002 0.89 MAPK8 (0.42) PRCPDPP7MEN1KMT2AMAPK8
SCHEMBL29437943 0.89 MAPK8 (0.43) PRCPMEN1KMT2AMAPK8MAPK9

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
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
Send feedback