SCHEMBL29371979

SCHEMBL29371979

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.42
▸ OPRL1 P41146 2/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ NPY1R P25929 2/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY5R Q15761 2/20 0.38

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
SCHEMBL29374977 0.93 NPY4R (0.41) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30839890 0.89 NPY4R (0.42) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29580475 0.88 OPRL1 (0.45) TFPIOPRL1NPY1RNPY4RNPY5R
SCHEMBL30469038 0.88 TFPI (0.45) TFPIOPRL1PRMT1
SCHEMBL29415209 0.86 NOD1 (0.43) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974514 0.86 TFPI (0.54) TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL5849482 0.86 OPRL1 (0.40) TFPIOPRL1NPY1RNPY2RNPY4R
SCHEMBL5849470 0.86 OPRL1 (0.40) TFPIOPRL1NPY1RNPY2RNPY4R
SCHEMBL30087281 0.85 NOD1 (0.44) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29637250 0.85 KEAP1 (0.45) NPY1RNPY2RNPY4RNPY5R

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
CN-114009789-A Food for improving cardiovascular and cerebrovascular diseases and preparation process thereof 刘严峰 2022-02-08 — — CN disclosed
Send feedback