SCHEMBL8186154

SCHEMBL8186154

C[CH]C(=O)N(C1CCCC1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.46
ADH1A P07327 9/20 0.39
ADH1C P00326 7/20 0.39
PHGDH O43175 1/20 0.37
S1PR3 Q99500 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
ADH4 P08319 1/20 0.36
ADH1B P00325 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
ADAM17 P78536 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR1 P21453 2/20 0.34

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
SCHEMBL8171737 0.98 TRPM8 (0.49) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL9464394 0.80 TRPM8 (0.54) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL9464393 0.80 TRPM8 (0.54) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL5545662 0.78 TRPM8 (0.56) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL5545663 0.78 TRPM8 (0.56) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL5398789 0.76 TRPM8 (0.46) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL11838019 0.76 TRPM8 (0.42) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL647829 0.74 TRPM8 (0.45) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL2091298 0.74 TRPM8 (0.49) TRPM8ADH1AADH1CPHGDHS1PR3
SCHEMBL2093626 0.73 TRPM8 (0.48) TRPM8ADH1AADH1CPHGDHS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
EP-0499266-B1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-10 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed