SCHEMBL8632712

SCHEMBL8632712

COC(=O)[C@]1(C)Oc2ccccc2N(C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.48
NISCH Q9Y2I1 1/20 0.44
MAPT P10636 4/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN9A Q15858 1/20 0.35
GLA P06280 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
SCHEMBL8630231 1.00 P2RX4 (0.48) P2RX4NISCHMAPTCTDSP1ALDH1A1
SCHEMBL7819783 0.85 MAPT (0.52) NISCHMAPTCTDSP1ALDH1A1PKM
SCHEMBL8630646 0.84 NISCH (0.47) P2RX4NISCHMAPTALDH1A1PKM
SCHEMBL8630509 0.84 NISCH (0.47) P2RX4NISCHMAPTALDH1A1PKM
SCHEMBL8627514 0.84 NISCH (0.47) P2RX4NISCHMAPTALDH1A1PKM
SCHEMBL8632329 0.79 TSHR (0.52) MAPTALDH1A1HSD17B10
SCHEMBL16362032 0.75 NISCH (0.52) P2RX4NISCHMAPTALDH1A1KDM4E
SCHEMBL8628468 0.74 NISCH (0.40) P2RX4NISCHMAPT
SCHEMBL3072283 0.72 P2RX4 (0.60) P2RX4ALDH1A1
SCHEMBL30972513 0.72 MAPT (0.49) MAPTALDH1A1PKMKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824652-A IMMUNOSTIMULANTS, ANTITUMOR AGENTS UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TECHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1998-10-20 US disclosed
EP-0695308-B1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIV LJUBLJANI (SI) 1998-07-01 EP disclosed
EP-0695308-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1996-02-07 EP disclosed
WO-1994024152-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1994-10-27 WO disclosed