SCHEMBL28258209

SCHEMBL28258209

COc1cc(N2CCNCC2)ccc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
IDO1 P14902 1/20 0.43
USP25 Q9UHP3 5/20 0.42
USP28 Q96RU2 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
NQO2 P16083 1/20 0.41
FAAH O00519 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.41
MAPT P10636 1/20 0.41
HTR6 P50406 1/20 0.41
FLT4 P35916 1/20 0.40
PTK2 Q05397 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL22957578 0.84 ACACB (0.42) DRD2USP25USP28NQO2FAAH
SCHEMBL29707354 0.83 FAAH (0.46) DRD2IDO1USP25NQO2FAAH
SCHEMBL22957491 0.83 FAAH (0.46) DRD2IDO1USP25NQO2FAAH
SCHEMBL22957300 0.81 NAMPT (0.51) USP25USP28FAAH
SCHEMBL19212187 0.80 SIGMAR1 (0.46) DRD2TMEM97MAPT
SCHEMBL6679588 0.76 NQO2 (0.48) DRD2IDO1NQO2MAPT
SCHEMBL28350815 0.74 MAPT (0.49) DRD2IDO1NQO2MAPT
SCHEMBL28258183 0.74 FAAH (0.42) USP25USP28TMEM97NQO2FAAH
SCHEMBL24120598 0.74 SMN1; SMN2 (0.52) MAPTTLR7
SCHEMBL8419482 0.73 MTNR1A (0.67) DRD2IDO1NQO2

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
CN-109071560-A Thienopyridine formamide as ubiquitin-specific protease inhibitor 福马治疗股份有限公司 2018-12-21 CN disclosed