Sugi Predict

Sugi Predict / Compounds / SCHEMBL13062

SCHEMBL13062

SCHEMBL13062

C1CCN(CCC2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CHRM5 P08912 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12397 0.98 CYP1A2 (0.42) CYP1A2HRH3KCNH2CHRM5ADRA2C
SCHEMBL10153844 0.84 CYP1A2 (0.54) CYP1A2HRH3CHRM5ADRA2CALDH1A1
SCHEMBL30115020 0.83 ALDH1A1 (0.53) CYP1A2CHRM5ADRA2CALDH1A1
SCHEMBL30340999 0.82 CHRM5 (0.58) CYP1A2HRH3CHRM5ADRA2C
SCHEMBL12945 0.82 CHRM5 (0.58) CYP1A2HRH3CHRM5ADRA2C
SCHEMBL3218288 0.82 CHRM5 (0.58) CYP1A2HRH3CHRM5ADRA2C
SCHEMBL27097492 0.82 CHRM5 (0.52) CYP1A2HRH3CHRM5ADRA2C
SCHEMBL16173593 0.82 HRH3 (0.46) HRH3KCNH2ADRA2CALDH1A1
SCHEMBL8587237 0.82 CYP1A2 (0.50) CYP1A2HRH3CHRM5ADRA2CALDH1A1
SCHEMBL3951154 0.82 DRD2 (0.37) CYP1A2ALDH1A1

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 — — EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 — — WO disclosed