SCHEMBL15536372

SCHEMBL15536372

CC[C@@H]1C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)cc2C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.36
AVPR1A P37288 2/20 0.36
ESRRA P11474 1/20 0.35
SSTR4 P31391 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
AR P10275 2/20 0.32
ELANE P08246 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ICMT O60725 3/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL18952957 0.88 ROCK2 (0.31) ESRRASSTR4HRH3HSD11B1HSD11B2
SCHEMBL1978597 0.80 OXTR (0.36) OXTRAVPR1AESRRASSTR4LRRK2
SCHEMBL18952980 0.75 PTGDR (0.34) ARHRH3
SCHEMBL13720513 0.75 AR (0.44) OXTRAVPR1AESRRALRRK2AR
SCHEMBL18952940 0.75 GPR119 (0.39) ARHRH3
SCHEMBL15536428 0.75 CHRM2 (0.34) ESRRAARHRH3
SCHEMBL17354630 0.71 AR (0.44) OXTRAVPR1AESRRALRRK2MRGPRX4
SCHEMBL4597701 0.71 KDM4E (0.50) OXTRAVPR1AESRRASSTR4LRRK2
SCHEMBL23927055 0.70 OXTR (0.37) OXTRAVPR1AESRRALRRK2AR
SCHEMBL30079061 0.70 OXTR (0.37) OXTRAVPR1AESRRALRRK2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386506-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN Autifony Therapeutics Limited (GB) 2018-10-17 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed
EP-2852588-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2015-04-01 EP disclosed
WO-2013175211-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2013-11-28 WO disclosed