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Dadle

Dadle

SCHEMBL16620196

CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.80
▸ OPRM1 P35372 9/20 0.80
▸ OPRK1 P41145 2/20 0.80

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
Dadle SCHEMBL11396067 1.00 OPRD1 (0.80) OPRD1OPRM1OPRK1
Dadle SCHEMBL11124725 1.00 OPRD1 (0.80) OPRD1OPRM1OPRK1
Dadle SCHEMBL28363457 1.00 OPRD1 (0.80) OPRD1OPRM1OPRK1
Dadle SCHEMBL11683986 1.00 OPRD1 (0.80) OPRD1OPRM1OPRK1
Dadle SCHEMBL11396064 1.00 OPRD1 (0.80) OPRD1OPRM1OPRK1
SCHEMBL8077734 0.94 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL29355873 0.94 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL8077732 0.94 OPRD1 (0.73) OPRD1OPRM1OPRK1
SCHEMBL29925300 0.94 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL11683004 0.94 OPRD1 (0.69) OPRD1OPRM1OPRK1

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
US-20160271248-A1 CXCR4 UP- AND DOWN-REGULATION FOR TREATMENT OF DISEASES OR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-22 — — US disclosed
WO-2015051279-A2 CXCR4 UP- AND DOWN-REGULATION FOR TREATMENT OF DISEASES OR DISORDERS DREXEL UNIVERSITY (US) 2015-04-09 — — WO disclosed
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