SCHEMBL26200753

SCHEMBL26200753

CC(C)(C)SC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)C(NC(=O)[C@H](CCCCN)NC(=O)CCl)SC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](S)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.44
▸ IL23R Q5VWK5 8/20 0.44
▸ TFPI P10646 1/20 0.43
▸ KEAP1 Q14145 1/20 0.41
▸ NPY4R P50391 1/20 0.40

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
SCHEMBL22003315 0.94 IL23R (0.48) OPRL1IL23RTFPI
SCHEMBL10046542 0.90 IL23R (0.51) OPRL1IL23RTFPI
SCHEMBL23057565 0.90 IL23R (0.51) OPRL1IL23RTFPI
SCHEMBL16349703 0.90 IL23R (0.50) OPRL1IL23RTFPI
SCHEMBL12082890 0.88 IL23R (0.50) OPRL1IL23RTFPI
SCHEMBL10052936 0.86 IL23R (0.53) IL23R
SCHEMBL22382220 0.85 IL23R (0.51) OPRL1IL23R
SCHEMBL13703199 0.85 IL23R (0.51) OPRL1IL23R
SCHEMBL13659872 0.84 IL23R (0.52) IL23R
SCHEMBL13870329 0.84 IL23R (0.54) IL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023166305-A1 METHODS FOR IMAGING INTEGRIN EXPRESSION AND FOR IMAGING SITES OF ENDOMETRIOSIS SERAC HEALTHCARE LTD (GB) 2023-09-07 — — WO disclosed
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