SCHEMBL29861978

SCHEMBL29861978

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.52
▸ GHSR Q92847 1/20 0.52
▸ ACE P12821 2/20 0.52
▸ PLAU P00749 1/20 0.51
▸ PLAUR Q03405 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MME P08473 1/20 0.49
▸ ECE1 P42892 1/20 0.49

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
SCHEMBL30490006 0.92 ECE1 (0.56) ACEPLAUPLAURLTA4HECE1
SCHEMBL30490008 0.89 TACR1 (0.51) TACR1PLAUPLAUR
SCHEMBL31178290 0.89 TACR1 (0.51) TACR1GHSRECE1
SCHEMBL31171031 0.89 ECE1 (0.56) GHSRECE1
SCHEMBL9298108 0.88 NMBR (0.63) MMEECE1
SCHEMBL31171022 0.88 KMT2A (0.51) TACR1GHSR
SCHEMBL29531954 0.87 GHSR (0.54) GHSRACEECE1
SCHEMBL12094756 0.86 CCKBR (0.56) GHSR
SCHEMBL31571737 0.86 GHSR (0.59) GHSRACELTA4HMMEECE1
SCHEMBL16310574 0.85 ACE (0.65) TACR1ACEECE1

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
CN-114917139-A Composite acetyl hexapeptide-1 and transdermal preparation and application thereof 珀莱雅化妆品股份有限公司 2022-08-19 — — CN disclosed
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