SCHEMBL7392002

SCHEMBL7392002

COC(=O)CCC1CCC(n2ccn(-c3ccc(C#N)cc3)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CHRM4 P08173 3/20 0.35
PKM P14618 1/20 0.35
USP14 P54578 4/20 0.35
ELANE P08246 2/20 0.35
CHRM2 P08172 1/20 0.35
CNR1 P21554 1/20 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
SCHEMBL7393255 1.00 CYP11B1 (0.37) CYP11B1CYP11B2HTTKDM4ELMNA
SCHEMBL7392000 1.00 CYP11B1 (0.37) CYP11B1CYP11B2HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7385330 0.83 ITGB3 (0.40)
Hydrochloric Acid SCHEMBL7388268 0.83 ITGB3 (0.40)
SCHEMBL7385952 0.82 CYP11B1 (0.38) CYP11B1CYP11B2HTTCHRM4USP14
SCHEMBL7385950 0.82 CYP11B1 (0.38) CYP11B1CYP11B2HTTCHRM4USP14
SCHEMBL8562570 0.78 DRD2 (0.35)
SCHEMBL8562566 0.78 DRD2 (0.35)
SCHEMBL7384638 0.78 HRH3 (0.39) CYP11B1CYP11B2
SCHEMBL7392595 0.78 PPARG (0.40) CYP11B1CYP11B2HTTCHRM4USP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed