SCHEMBL6593463

SCHEMBL6593463

CCCCC/C=[C]\C1CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
THRB P10828 1/20 0.30
EPHX1 P07099 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
SCHEMBL6591003 0.93
SCHEMBL6591028 0.83
SCHEMBL2303897 0.83 CYP1A2 (0.40) TSHRALDH1A1
SCHEMBL6956347 0.83 CYP1A2 (0.40) TSHRALDH1A1
SCHEMBL6593055 0.74
SCHEMBL2301258 0.73 CYP1A2 (0.33) ADH1A
SCHEMBL4244912 0.70
SCHEMBL4421734 0.69 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL9630620 0.69 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1THRB
SCHEMBL9272520 0.69 TSHR (0.46) TSHRFAAHTRPV1ALDH1A1MEN1

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