SCHEMBL30140825

SCHEMBL30140825

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TFPI P10646 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
KEAP1 Q14145 1/20 0.47
VIPR2 P41587 5/20 0.47
VIPR1 P32241 3/20 0.47
NPY5R Q15761 5/20 0.46
NPY1R P25929 4/20 0.46
NPY4R P50391 4/20 0.46
NPY2R P49146 2/20 0.46

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
SCHEMBL29809691 0.94 NPY4R (0.51) TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL30084577 0.93 TFPI (0.48) TFPIRXFP1KEAP1NPY5RNPY1R
SCHEMBL29546204 0.92 NPY4R (0.52) TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL29545125 0.92 NPY4R (0.52) TFPINPY5RNPY1RNPY4RNPY2R
SCHEMBL31676593 0.92 TFPI (0.45) TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL31676591 0.92 TFPI (0.45) TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL30905693 0.91 TFPI (0.54) TFPIRXFP1KEAP1VIPR1NPY5R
SCHEMBL30966641 0.91 TFPI (0.49) TFPIRXFP1KEAP1NPY5RNPY1R
SCHEMBL30905699 0.91 TFPI (0.53) TFPIRXFP1KEAP1VIPR1NPY5R
SCHEMBL28081230 0.90 TFPI (0.54) TFPIRXFP1KEAP1VIPR2VIPR1

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-20230050804-A1 USE OF CCDC157 GENE AND MUTANT GENES THEREOF AS MOLECULAR MARKERS IN DIAGNOSIS OF MALE INFERTILITY DISEASES ZHEJIANG UNIVERSITY (CN) 2023-02-16 US disclosed