SCHEMBL7786231

SCHEMBL7786231

CCCNC(=O)C1CNCC[N]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
PRCP P42785 2/20 0.36
HPGD P15428 2/20 0.35
BCHE P06276 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NAAA Q02083 1/20 0.31
EPHX2 P34913 1/20 0.31
GRM4 Q14833 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL7787553 0.88 KMT2A (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL752438 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7784038 0.76 KMT2A (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2250070 0.75 HSD17B10 (0.33) HSD17B10
SCHEMBL844879 0.74 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9053082 0.73 L3MBTL1 (0.36) ALDH1A1
SCHEMBL5661852 0.73 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21661360 0.71 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2149339 0.71 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6361129 0.71 CHRNB2 (0.70) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823420-B1 Substituted vinylurea derivatives and their use as ACAT inhibitors SS PHARMACEUTICAL CO (JP) 2001-10-24 EP disclosed
US-5866609-A PROPHYLACTIC AND THERAPEUTIC AGENTS FOR ARTERIOSCLEROSIS. SS PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
EP-0823420-A2 Substituted vinylurea derivatives and their use as ACAT inhibitors SS PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed