SCHEMBL29164081

SCHEMBL29164081

N=C(N)NCCC[C@H](NC(=O)C[C@@H](N)Cc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDE P14735 5/20 0.43
▸ MC4R P32245 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ MC1R Q01726 2/20 0.42
▸ NPY4R P50391 6/20 0.41
▸ NPY1R P25929 5/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ NPY5R Q15761 5/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ BDKRB2 P30411 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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 0.93 LMNA (0.41) MC4RMC3RMC1RNPY4RNPY1R
SCHEMBL29164082 0.90 F2 (0.43) NPY4RNPY1RNPY2RNPY5RRAB9A
SCHEMBL29163540 0.88 SMN1; SMN2 (0.39) NPY4RNPY1RNPY2RNPY5REPHX1
SCHEMBL8342382 0.85 MEN1 (0.43) MC4RMC3RMC1RNPY4RNPY1R
Hydrochloric Acid SCHEMBL28274778 0.84 MEN1 (0.43) MC4RMC3RMC1RNPY4RNPY1R
Hydrochloric Acid SCHEMBL28274785 0.84 MEN1 (0.43) MC4RMC3RMC1RNPY4RNPY1R
SCHEMBL27352129 0.84 NPY4R (0.47) MC4RMC3RMC1RNPY4RNPY1R
SCHEMBL8341764 0.84 NPY4R (0.47) MC4RMC3RMC1RNPY4RNPY1R
Pabetan SCHEMBL4546522 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5REPHX1
Pabetan SCHEMBL29894618 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5REPHX1

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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