SCHEMBL24968342

SCHEMBL24968342

COc1ncc(C2CCC[C@H]2OCCC(=O)NCCNc2ncc(C(F)(F)F)cn2)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.36
PPARG P37231 1/20 0.32
TACR1 P25103 2/20 0.32
HCRTR2 O43614 2/20 0.32
MAPT P10636 1/20 0.31
CRHR1 P34998 2/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
PTK2 Q05397 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CFTR P13569 1/20 0.31
CHRM4 P08173 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
SCHEMBL24968933 0.82 PIK3CD (0.34) PIK3R1PIK3CACFTR
SCHEMBL24968341 0.82 PIK3CD (0.34) PIK3R1PIK3CACFTR
SCHEMBL27233855 0.81 PIK3CD (0.35) TACR1PIK3CACFTR
SCHEMBL24968338 0.81 PIK3CD (0.35) TACR1PIK3CACFTR
SCHEMBL24968934 0.81 PIK3CD (0.35) TACR1PIK3CACFTR
SCHEMBL27233713 0.81 TIPARP (0.47) TIPARP
SCHEMBL24968936 0.81 TIPARP (0.47) TIPARP
SCHEMBL24968387 0.76 TIPARP (0.47) TIPARP
SCHEMBL24968383 0.75 TACR1 (0.35) TACR1PIK3CACFTR
SCHEMBL24968385 0.72 CYP11B1 (0.36) TACR1PIK3CAPTK2CFTR

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed