SCHEMBL30233281

SCHEMBL30233281

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ CALCR P30988 5/20 0.58
▸ CXCR4 P61073 3/20 0.57
▸ MC4R P32245 1/20 0.56
▸ NMUR2 Q9GZQ4 2/20 0.55
▸ NMUR1 Q9HB89 2/20 0.55
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ F2 P00734 1/20 0.54
▸ APLNR P35414 1/20 0.54
▸ RAMP1 O60894 1/20 0.53
▸ RAMP2 O60895 1/20 0.53
▸ RAMP3 O60896 1/20 0.53
▸ CALCRL Q16602 1/20 0.53

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
SCHEMBL29843099 0.96 C5AR1 (0.58) C5AR1CALCRCXCR4MC4RNMUR2
SCHEMBL30233814 0.96 C5AR1 (0.63) C5AR1CALCRCXCR4MC4RHCRTR1
SCHEMBL30753760 0.95 C5AR1 (0.64) C5AR1CALCRCXCR4MC4RNMUR2
SCHEMBL30753758 0.94 C5AR1 (0.63) C5AR1CALCRMC4RNMUR2NMUR1
SCHEMBL29843005 0.94 C5AR1 (0.58) C5AR1CALCRCXCR4MC4RNMUR2
SCHEMBL30233422 0.94 C5AR1 (0.58) C5AR1CALCRCXCR4NMUR2NMUR1
SCHEMBL30233411 0.94 CALCR (0.63) C5AR1CALCRCXCR4HCRTR1HCRTR2
SCHEMBL30233448 0.94 C5AR1 (0.60) C5AR1CALCRCXCR4MC4RNMUR2
SCHEMBL30233470 0.94 C5AR1 (0.61) C5AR1CALCRCXCR4MC4RHCRTR1
SCHEMBL30233565 0.93 C5AR1 (0.59) C5AR1CALCRCXCR4MC4RNMUR2

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-20240041740-A1 SKIN PEEL COMPOSITIONS GLO PHARMA INC (US) 2024-02-08 — — US disclosed
CN-115702161-A Peptide compositions and methods for inhibiting nicotinic acetylcholine receptor activity 格罗制药公司 2023-02-14 — — CN disclosed
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