SCHEMBL29163540

SCHEMBL29163540

N=C(N)NCCC[C@H](NC(=O)C[C@@H](N)Cc1ccccc1F)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DPP4 P27487 10/20 0.38
▸ DPP8 Q6V1X1 4/20 0.38
▸ DPP9 Q86TI2 4/20 0.38
▸ DPP7 Q9UHL4 4/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ EPHX1 P07099 2/20 0.36
▸ NPY1R P25929 2/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ NPY4R P50391 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL29163541 0.88 LMNA (0.41) SMN1; SMN2LMNANPY1RNPY2RNPY4R
SCHEMBL29164081 0.88 IDE (0.43) SMN1; SMN2RAB9AGAAEPHX1NPY1R
SCHEMBL8342382 0.82 MEN1 (0.43) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL29164082 0.82 F2 (0.43) RAB9ANPC1NPY1RNPY2RNPY4R
SCHEMBL8341764 0.81 NPY4R (0.47) LMNADPP8DPP9DPP7EPHX1
SCHEMBL27352129 0.81 NPY4R (0.47) LMNADPP8DPP9DPP7EPHX1
Hydrochloric Acid SCHEMBL28274785 0.81 MEN1 (0.43) SMN1; SMN2LMNARAB9ANPC1GAA
Hydrochloric Acid SCHEMBL28274778 0.81 MEN1 (0.43) SMN1; SMN2LMNARAB9ANPC1GAA
Pabetan SCHEMBL14928984 0.79 NPY4R (0.46) EPHX1NPY1RNPY2RNPY4RNPY5R
Pabetan SCHEMBL4546522 0.79 NPY4R (0.46) EPHX1NPY1RNPY2RNPY4RNPY5R

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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