SCHEMBL14272804

SCHEMBL14272804

CC(C)N1[C@@H]2c3ccccc3C3(CCN(C(=O)OC(C)(C)C)CC3)[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ TERT O14746 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IDO1 P14902 4/20 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
SCHEMBL14300921 0.89 ATM (0.46) KDM1ATSHRALOX15ATMGPR119
SCHEMBL6393580 0.79 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272806 0.79 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL6397393 0.79 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272818 0.79 KDM1A (0.49) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272805 0.79 TSHR (0.46) KDM1ATSHRALOX15ATMGPR119
SCHEMBL21940602 0.75 KDM1A (0.45) KDM1ATSHRALOX15ATMGPR119
SCHEMBL31645476 0.75 KDM1A (0.45) KDM1ATSHRALOX15ATMGPR119
SCHEMBL14272807 0.73 KDM1A (0.57) KDM1ATSHRALOX15ATMGPR119
SCHEMBL21940363 0.73 KDM1A (0.43) KDM1ATSHRALOX15ATMGPR119

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-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
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