SCHEMBL31019331

SCHEMBL31019331

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.53
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ TFPI P10646 1/20 0.50
▸ VIPR2 P41587 6/20 0.50
▸ PTH1R Q03431 5/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.50
▸ TASP1 Q9H6P5 1/20 0.49
▸ ECE1 P42892 1/20 0.47
▸ GLP1R P43220 1/20 0.47
▸ MUS81 Q96NY9 1/20 0.47

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
SCHEMBL29473651 0.95 VIPR1 (0.53) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29805066 0.94 GRIN2D (0.52) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29965025 0.93 VIPR1 (0.56) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31287215 0.93 GRIN2D (0.53) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29416170 0.93 GRIN2D (0.51) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29473681 0.93 VIPR1 (0.54) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30662325 0.93 VIPR1 (0.58) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30512550 0.93 VIPR2 (0.48) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29424990 0.92 VIPR1 (0.52) VIPR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30381394 0.91 TASP1 (0.49) VIPR1GRIN2DGRIN3BGRIN1GRIN2A

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-20240252516-A1 COMBINATION BPH THERAPY WITH FEXAPOTIDE TRIFLUTATE, A 5-ARI, AND AN ALPHA BLOCKER NYMOX CORPORATION 2024-08-01 — — US disclosed
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