SCHEMBL19014181

SCHEMBL19014181

CCN1CC2CCC(C1)N2C(=O)N1CCC(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
F2R P25116 2/20 0.33
GAA P10253 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM1 P11229 1/20 0.31
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20682406 0.80 HRH3 (0.42) JAK2JAK1F2R
SCHEMBL20382066 0.77 HSD11B1 (0.43) JAK2JAK1F2RHSD11B1SMN1; SMN2
SCHEMBL19014176 0.73 SPR (0.36) JAK2JAK1GAAHSD11B1SMN1; SMN2
SCHEMBL25910650 0.73 HRH3 (0.38) JAK2JAK1
SCHEMBL20154480 0.72 ALDH1A1 (0.38) HSD11B1SMN1; SMN2CHRM1L3MBTL1
SCHEMBL20682398 0.72 DPP4 (0.33) JAK2JAK1HSD11B1SMN1; SMN2
SCHEMBL5035936 0.72 GAA (0.59) GAASMN1; SMN2CHRM1THRBATM
SCHEMBL10035079 0.70 HRH3 (0.43) HSD11B1SMN1; SMN2
SCHEMBL13045920 0.70 EPHX2 (0.47)
SCHEMBL21723067 0.69 SMN1; SMN2 (0.38) HSD11B1SMN1; SMN2CHRM1

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
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed