SCHEMBL9683898

SCHEMBL9683898

CCCCCC(C)NC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
MLYCD O95822 1/20 0.46
CA1 P00915 3/20 0.45
TP53 P04637 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
OPRM1 P35372 1/20 0.43
FAAH O00519 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
CA2 P00918 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41

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
SCHEMBL18596029 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9252302 0.98 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27586792 0.98 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11681448 0.98 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL293527 0.94 TAS1R3 (0.49) ADH1BADH1CADH1AADH4ADH7
SCHEMBL292612 0.85
SCHEMBL9293672 0.81 FAAH (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6841356 0.81 GABRR1 (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL14370371 0.81 FAAH (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1388448 0.81 TAS1R3 (0.49) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
CN-115843295-A NAMPT modulators 赛特凯恩蒂克公司 2023-03-24 CN disclosed
CN-115461327-A Spiro urea derivatives 爱杜西亚药品有限公司 2022-12-09 CN disclosed
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1039999-C Vasopressin antagonist and oxytocin antagonist, process for their preparation and pharmaceutical compositions containing them OTSUKA CHEMICAL CO LTD (JP) 1998-09-30 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed
US-5158808-A Method of coating with a water borne composition UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-10-27 US disclosed
US-5039759-A Water borne high solids coating compositions TECHNOLOGY CORPORATION UNITED CARBIDE CHEMICALS AND PLASTICS (US) 1991-08-13 US disclosed
EP-0212380-B1 AQUEOUS HIGH SOLIDS COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1990-09-19 EP disclosed
EP-0212380-A2 Aqueous high solids coating compositions UNION CARBIDE CORPORATION (US) 1987-03-04 EP disclosed
EP-0211359-A1 High solids coating compositions UNION CARBIDE CORPORATION (US) 1987-02-25 EP disclosed