SCHEMBL30692435

SCHEMBL30692435

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.47
▸ TASP1 Q9H6P5 1/20 0.46
▸ NPY4R P50391 8/20 0.46
▸ NPY1R P25929 6/20 0.46
▸ NPY2R P49146 4/20 0.46
▸ NPY5R Q15761 4/20 0.46
▸ BACE1 P56817 5/20 0.45
▸ VIPR1 P32241 1/20 0.44
▸ BACE2 Q9Y5Z0 1/20 0.44

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
SCHEMBL29837350 0.98 TFPI (0.47) TFPITASP1NPY4RNPY1RNPY2R
SCHEMBL29837349 0.97 TFPI (0.46) TFPITASP1NPY4RNPY1RNPY2R
SCHEMBL29625167 0.94 NPY4R (0.49) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30262050 0.93 TFPI (0.50) TFPIBACE1VIPR1BACE2
SCHEMBL29696019 0.92 NPY4R (0.49) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31666006 0.91 NPY4R (0.50) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL30381394 0.91 TASP1 (0.49) TFPITASP1NPY4RNPY1RNPY2R
SCHEMBL31461989 0.91 TASP1 (0.47) TASP1BACE1VIPR1
SCHEMBL30768183 0.91 BACE1 (0.53) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31019331 0.91 VIPR1 (0.53) TFPITASP1VIPR1

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-20240252516-A1 COMBINATION BPH THERAPY WITH FEXAPOTIDE TRIFLUTATE, A 5-ARI, AND AN ALPHA BLOCKER NYMOX CORPORATION 2024-08-01 — — US disclosed
CN-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
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