SCHEMBL30401682

SCHEMBL30401682

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48
▸ TPSAB1 Q15661 1/20 0.48
▸ CAPN1 P07384 2/20 0.47
▸ RAMP3 O60896 9/20 0.44
▸ CALCR P30988 9/20 0.44
▸ CXCR4 P61073 1/20 0.44
▸ APLNR P35414 4/20 0.43
▸ C5AR1 P21730 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MAFG O15525 1/20 0.42

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
SCHEMBL29569376 0.84 CXCR4 (0.47) RAMP3CALCRCXCR4APLNRC5AR1
SCHEMBL29568980 0.84 CXCR4 (0.47) RAMP3CALCRCXCR4APLNRC5AR1
SCHEMBL6176082 0.84 RAMP3 (0.54) RAMP3CALCR
SCHEMBL6176075 0.83 RAMP3 (0.52) RAMP3CALCRAPLNR
SCHEMBL29568619 0.80 APLNR (0.48) RAMP3CALCRCXCR4APLNRC5AR1
SCHEMBL29568813 0.80 APLNR (0.48) RAMP3CALCRCXCR4APLNRC5AR1
SCHEMBL29569098 0.80 APLNR (0.48) RAMP3CALCRCXCR4APLNRC5AR1
SCHEMBL29569370 0.80 APLNR (0.49) RAMP3CALCRAPLNR
SCHEMBL29568732 0.80 NMUR2 (0.47) RAMP3CALCRAPLNR
SCHEMBL29569644 0.79 APLNR (0.47) RAMP3CALCRCXCR4APLNRC5AR1

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-12320802-B2 Microbial nanowires modified to contain peptides and methods of making UNIVERSITY OF MASSACHUSETTS (US) 2025-06-03 — — US disclosed
US-20230160885-A1 Microbial Nanowires Modified to Contain Peptides and Methods of Making UNIVERSITY OF MASSACHUSETTS 2023-05-25 — — US disclosed
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