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Sugi Predict / Compounds / SCHEMBL5320053

SCHEMBL5320053

SCHEMBL5320053

CC1(C)CC(N2N=C(C3CCCCC3)c3ccc(Cl)cc3NC2=O)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.38
▸ PTH1R Q03431 6/20 0.36
▸ CES1 P23141 1/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ PSD A5PKW4 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ HSD11B2 P80365 1/20 0.32
▸ ARF6 P62330 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
SCHEMBL5320857 0.88 PTH1R (0.36) CHRM1PTH1RCNR2ARF6
SCHEMBL5323969 0.88 LMNA (0.31) CNR2
SCHEMBL5321521 0.86 PTH1R (0.38) PTH1R
SCHEMBL5331877 0.86 CES2 (0.32) PTH1RCNR2
SCHEMBL5327710 0.85 ALDH1A1 (0.33) PTH1RCNR2
SCHEMBL5354194 0.82 PTH1R (0.39) CHRM1PTH1RCES1HSD11B1CNR2
SCHEMBL5349124 0.80 CNR2 (0.31) CNR2
SCHEMBL5330541 0.78 PTH1R (0.37) CHRM1PTH1RCNR2
SCHEMBL5319651 0.77 PTH1R (0.37) CHRM1PTH1RARF6
SCHEMBL5349032 0.77 PTH1R (0.49) CHRM1PTH1RCES1HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 — — WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 — — WO disclosed