SCHEMBL28469739

SCHEMBL28469739

C[C]1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
ACHE P22303 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
BLM P54132 1/20 0.59
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.53
POLB P06746 3/20 0.53
MAOB P27338 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.53
EPHX1 P07099 1/20 0.51

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
SCHEMBL252026 0.83 HPGD (0.79) HPGDACHESIGMAR1BLMUSP2
SCHEMBL7129676 0.83 HPGD (0.79) HPGDACHESIGMAR1BLMUSP2
SCHEMBL13182763 0.82 HPGD (0.66) HPGDACHESIGMAR1BLMUSP2
SCHEMBL263534 0.82 HPGD (0.66) HPGDACHESIGMAR1BLMUSP2
Hydrochloric Acid SCHEMBL1597472 0.81 HPGD (0.76) HPGDACHESIGMAR1BLMUSP2
SCHEMBL7776187 0.81 HPGD (0.63) HPGDACHESIGMAR1BLMUSP2
SCHEMBL13901199 0.80 HPGD (0.58) HPGDACHESIGMAR1BLMUSP2
SCHEMBL1263133 0.79 HPGD (0.88) HPGDACHESIGMAR1BLMUSP2
SCHEMBL254870 0.79 HPGD (0.96) HPGDACHESIGMAR1BLMUSP2
SCHEMBL18228404 0.79 HPGD (0.96) HPGDACHESIGMAR1BLMUSP2

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-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 CN disclosed