SCHEMBL6590036

SCHEMBL6590036

[C]#CC(CC)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
EPHX1 P07099 2/20 0.35
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 2/20 0.30
PKM P14618 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL6592010 0.98 SHBG (0.46) SHBGEPHX1
SCHEMBL6592254 0.93
SCHEMBL8053062 0.88
SCHEMBL12987447 0.77 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL741065 0.77 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL27526699 0.77 SHBG (0.50) SHBGEPHX1TP53KDM4EGMNN
SCHEMBL14509959 0.74 SHBG (0.46) SHBGEPHX1
SCHEMBL3036277 0.74 SHBG (0.46) SHBGEPHX1
SCHEMBL15693560 0.70
SCHEMBL9416078 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823423-B1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6140338-A FOR TREATING ACUTE INFLAMMATORY DISEASES, CHRONIC INFLAMMATORY DISEASES, ACQUIRED IMMUNE DEFICIENCY SYNDROME, CANCER, ISCHEMIC REFLOW DISORDER AND/OR ARTERIOSCLEROSIS BANYU PHARMACEUTICAL, CO., LTD. (JP) 2000-10-31 US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0916668-A1 CHEMOKINE RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-05-19 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed