SCHEMBL23750222

SCHEMBL23750222

CC(=O)N[C@@H](CCC=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.45
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 6/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 0.43
▸ TUBB6 Q9BUF5 2/20 0.43
▸ TUBB2B Q9BVA1 2/20 0.43
▸ TUBB1 Q9H4B7 2/20 0.43
▸ IL23R Q5VWK5 2/20 0.41

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
SCHEMBL23750071 0.92 MC4R (0.56) MC4RIL23RC5AR1KISS1R
SCHEMBL23750214 0.90 APLNR (0.49) GRIA1C5AR1CHRNB2CHRNB4CHRNA3
SCHEMBL23750092 0.89 CHRNA1 (0.47) MC4RGRIA1C5AR1CHRNB2CHRNB4
SCHEMBL23750209 0.89 C5AR1 (0.47) MC4ROPRM1OPRK1TUBB4ATUBB
SCHEMBL31279762 0.87 GNPAT (0.52) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24991032 0.86 C5AR1 (0.51) MC4RTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22375041 0.85 IL23R (0.50) OPRM1OPRK1IL23RC5AR1
SCHEMBL22374516 0.84 IL23R (0.49) OPRM1OPRK1TUBB4ATUBBTUBA3C
SCHEMBL23750093 0.84 CHRNA1 (0.42) MC4RGRIA1TUBB4ATUBBTUBA3C
SCHEMBL31315020 0.84 SLC15A2 (0.43) OPRM1OPRK1TUBB4ATUBBTUBA3C

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-2021158463-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 — — WO disclosed
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