SCHEMBL30963330

SCHEMBL30963330

CCCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.53
▸ CCKAR P32238 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ C5AR1 P21730 1/20 0.51
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51
▸ TUBB4B P68371 1/20 0.51
▸ TUBB3 Q13509 1/20 0.51
▸ TUBB2A Q13885 1/20 0.51
▸ TUBB8 Q3ZCM7 1/20 0.51
▸ TUBA3E Q6PEY2 1/20 0.51
▸ TUBA1A Q71U36 1/20 0.51
▸ TUBA1C Q9BQE3 1/20 0.51
▸ TUBB6 Q9BUF5 1/20 0.51
▸ TUBB2B Q9BVA1 1/20 0.51
▸ TUBB1 Q9H4B7 1/20 0.51
▸ KISS1R Q969F8 3/20 0.50

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
SCHEMBL12094776 0.94 MC4R (0.54) CCKBRCCKAROPRD1TUBB4ATUBB
SCHEMBL30264997 0.93 C5AR1 (0.51) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30264983 0.93 C5AR1 (0.51) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30264893 0.93 C5AR1 (0.51) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30510423 0.93 TUBB4A (0.52) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29476494 0.93 TUBB4A (0.52) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30264812 0.93 C5AR1 (0.50) CCKBRC5AR1TUBB4ATUBBTUBA3C
SCHEMBL29666143 0.93 KISS1R (0.54) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29666221 0.92 C5AR1 (0.52) C5AR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30118069 0.92 C5AR1 (0.52) C5AR1TUBB4ATUBBTUBA3CTUBA1B

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
WO-2024126552-A1 COMPOSITION FOR SKIN REPIGMENTATION Bella Aurora Labs, S.A. (ES) 2024-06-20 — — WO disclosed
EP-4385515-A1 COMPOSITION FOR SKIN REPIGMENTATION Bella Aurora Labs, S.A. (ES) 2024-06-19 — — EP disclosed
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