SCHEMBL3939441

SCHEMBL3939441

CC1(C)CC(=O)N[C@@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
APLNR P35414 1/20 0.32
CAD P27708 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL7271734 1.00 HTT (0.38) HTTSMN1; SMN2ITGB3ITGB2ITGB1
SCHEMBL21176305 0.84 MEN1 (0.37) HTTKDM4ECYP2C19MAPT
SCHEMBL21183544 0.79 KMT2A (0.42) HTTSMN1; SMN2KDM4EMAPT
SCHEMBL27952230 0.71 HTT (0.35) HTT
SCHEMBL11763607 0.71 HTT (0.42) HTT
SCHEMBL7334907 0.71 CAD (0.32) CAD
SCHEMBL16097822 0.70
SCHEMBL10345486 0.67 HTT (0.41) HTTAPLNR
SCHEMBL10345485 0.67 HTT (0.41) HTTAPLNR
SCHEMBL29555621 0.67 HTT (0.32) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 EP disclosed
US-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 EP disclosed