SCHEMBL28065682

SCHEMBL28065682

C[C](C)CN1CCC(N2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTR7 P34969 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
OPRL1 P41146 2/20 0.36
USP5 P45974 1/20 0.35

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
SCHEMBL12640337 0.86 KDM4E (0.55) KDM4EALDH1A1L3MBTL3L3MBTL1LMNA
SCHEMBL28865573 0.82 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL5969639 0.80 HSD17B10 (0.63) KDM4EALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL70060 0.80 KDM4E (0.54) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL1371748 0.79 HSD17B10 (0.61) KDM4EALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL30775341 0.79 KDM4E (0.67) KDM4EALDH1A1L3MBTL3L3MBTL1HRH3
SCHEMBL7905712 0.79 KMT2A (0.50) KDM4EALDH1A1L3MBTL3L3MBTL1LMNA
SCHEMBL27787989 0.78 SIGMAR1 (0.43) KDM4EALDH1A1ALOX15
SCHEMBL12842050 0.76 SMN1; SMN2 (0.46) KDM4EALDH1A1L3MBTL3HRH3HTR7
SCHEMBL13197689 0.75 TDP1 (0.42) KDM4EALDH1A1L3MBTL3HRH3HTR7

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
CN-105683168-B Fragrant amino pyrimidines and its application and pharmaceutical composition prepared therefrom and Pharmaceutical composition 上海海雁医药科技有限公司 2017-12-08 CN disclosed
CN-105683168-A Arylamino pyramidine compound and application thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom 上海海雁医药科技有限公司 2016-06-15 CN disclosed