SCHEMBL7786235

SCHEMBL7786235

CCCNC(=O)N1[CH]CNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
CYP2C19 P33261 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
BCHE P06276 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 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
SCHEMBL4630647 0.75 CHRNB2 (0.36) KMT2AMEN1CHRNB2CHRNA3CHRNA4
SCHEMBL10818831 0.74 KMT2A (0.55) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL4630955 0.74 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3889279 0.71 TSHR (0.37) KMT2ALMNAMEN1CYP2C19HTT
SCHEMBL603100 0.71
SCHEMBL3891537 0.70 CHRNB2 (0.35) KMT2AMEN1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL27699750 0.70 TSHR (0.36) KMT2ALMNAMEN1CYP2C19HTT
SCHEMBL6961571 0.69
SCHEMBL11545312 0.67 KMT2A (0.40) KMT2ALMNANPSR1MEN1CYP2C19
SCHEMBL4639692 0.66 LMNA (0.40) KMT2ALMNANPSR1MEN1CYP2C19

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