SCHEMBL5599732

SCHEMBL5599732

CC(C)C(=O)[C@@H]1N(Cc2cccc3c2OCO3)c2ccccc2C12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
FAAH O00519 1/20 0.37
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
EED O75530 1/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 6/20 0.34
DRD3 P35462 6/20 0.34
MCHR1 Q99705 2/20 0.34
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL5783494 0.86 LMNA (0.40) SMN1; SMN2MEN1ALDH1A1MAPTPKM
SCHEMBL5599820 0.83 SCN9A (0.37) SMN1; SMN2MEN1ALDH1A1MAPTPKM
SCHEMBL5598985 0.75 MTNR1A (0.36) ALDH1A1MAPTOPRM1HTR2A
SCHEMBL5779729 0.75 DRD2 (0.36) SMN1; SMN2MEN1ALDH1A1MAPTPKM
SCHEMBL5779471 0.70 POLB (0.37) MEN1MAPTKMT2APOLB
SCHEMBL5579057 0.67 HDAC1 (0.48) SMN1; SMN2MEN1ALDH1A1MAPTPKM
SCHEMBL5600810 0.64 NPC1 (0.43) SMN1; SMN2ALDH1A1KMT2ANPSR1LMNA
SCHEMBL5592351 0.64 HDAC1 (0.42) SMN1; SMN2MEN1ALDH1A1KMT2AOPRM1
SCHEMBL916973 0.62 FAAH (0.53) SMN1; SMN2MEN1ALDH1A1MAPTPKM
SCHEMBL5578870 0.61 HCRTR1 (0.43) MEN1ALDH1A1KMT2ALMNAOPRM1

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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed