SCHEMBL27719954

SCHEMBL27719954

CC(C)(C)C(=O)ON1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.67
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL27805644 0.85 SMN1; SMN2 (0.47) HRH3HPGDSMN1; SMN2TSHRKMT2A
SCHEMBL522487 0.84 HRH3 (0.70) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1014002 0.81 HPGD (0.86) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL28784126 0.81 HRH3 (0.46) HRH3HPGDSMN1; SMN2TSHRKMT2A
SCHEMBL13636330 0.80 HRH3 (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
Hydrochloric Acid SCHEMBL1177194 0.79 HRH3 (0.97) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL10184001 0.79 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL1450838 0.79 HRH3 (0.78) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL3456205 0.78 HPGD (1.00) HRH3HPGDSMN1; SMN2USP2TSHR
SCHEMBL27939943 0.78 ALDH1A1 (0.57) HPGDSMN1; SMN2GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659718-B Prepare the method for cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA N. V. (BE) 2015-11-25 CN disclosed
CN-101321730-B Cyclopropylamines as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV 2012-11-14 CN disclosed
CN-102659718-A Processes for the preparation of cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV 2012-09-12 CN disclosed
CN-101300242-B Process for preparing cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV 2012-07-11 CN disclosed
CN-101389617-A Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-03-18 CN disclosed
CN-101321730-A Cyclopropylamines as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 CN disclosed
CN-101300242-A Process for preparing cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 CN disclosed