SCHEMBL29532500

SCHEMBL29532500

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 13/20 0.57
▸ ERAP2 Q6P179 1/20 0.57
▸ ECE1 P42892 5/20 0.54
▸ NPBWR1 P48145 1/20 0.53

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
SCHEMBL30517760 0.97 ERAP2 (0.59) KISS1RERAP2ECE1NPBWR1
SCHEMBL30919240 0.95 KISS1R (0.64) KISS1R
SCHEMBL30402141 0.94 NPBWR1 (0.58) KISS1RERAP2NPBWR1
SCHEMBL31229004 0.94 ERAP2 (0.62) KISS1RERAP2ECE1
SCHEMBL28664025 0.93 ECE1 (0.59) KISS1RERAP2ECE1
SCHEMBL28664028 0.93 ECE1 (0.59) KISS1RERAP2ECE1
SCHEMBL29799941 0.93 KDM4E (0.54) KISS1RERAP2ECE1
SCHEMBL31232571 0.93 KISS1R (0.59) KISS1RERAP2ECE1
SCHEMBL30522762 0.93 ECE1 (0.58) KISS1RERAP2ECE1
SCHEMBL29483776 0.92 ACE (0.55) ERAP2ECE1

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
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