SCHEMBL31683364

SCHEMBL31683364

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.67
▸ VIPR2 P41587 10/20 0.64
▸ VIPR1 P32241 7/20 0.64
▸ KEAP1 Q14145 1/20 0.64

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
SCHEMBL30567722 0.92 TFPI (0.61) TFPIVIPR2VIPR1
SCHEMBL29453357 0.91 VIPR2 (0.70) TFPIVIPR2VIPR1
SCHEMBL38664796 0.91 VIPR1 (0.67) TFPIVIPR2VIPR1
SCHEMBL29453348 0.91 VIPR2 (0.70) TFPIVIPR2VIPR1KEAP1
SCHEMBL29351238 0.90 TFPI (0.65) TFPIVIPR2VIPR1
SCHEMBL30629356 0.90 VIPR1 (0.71) TFPIVIPR2VIPR1KEAP1
SCHEMBL30176485 0.90 VIPR2 (0.61) TFPIVIPR2VIPR1KEAP1
SCHEMBL30350066 0.90 VIPR1 (0.65) TFPIVIPR2VIPR1
SCHEMBL30648448 0.90 TFPI (0.70) TFPIVIPR2VIPR1KEAP1
SCHEMBL31563800 0.90 VIPR1 (0.73) TFPIVIPR2VIPR1

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
US-20250283037-A1 METHODS FOR STIMULATING AND TRANSDUCING T CELLS JUNO THERAPEUTICS GMBH (DE) 2025-09-11 — — US disclosed
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