SCHEMBL28052467

SCHEMBL28052467

CC(C)(C)OC(=O)N1CCNCC1c1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.40
PARP1 P09874 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL30502301 0.84 HTR2C (0.44) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL4564195 0.84 RIPK1 (0.48) LMNATSHR
SCHEMBL30968467 0.82 TACR1 (0.36) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL5827279 0.82 HTR2C (0.43) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL13647340 0.81 TACR1 (0.59) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL30873752 0.81 TACR1 (0.43) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL5333905 0.81 HTR2C (0.47) PARP1HTR2CHTR2BHTR2ANR1H2
SCHEMBL31437077 0.79 ALDH1A1 (0.43) TACR1LMNA
SCHEMBL30775551 0.79 ALOX5AP (0.36) TACR1PARP1HTR2CHTR2BHTR2A
SCHEMBL30442305 0.79 PARP1 (0.40) TACR1PARP1HTR2CHTR2BHTR2A

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-102666545-B As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor CELLZOME LTD. (GB) 2016-04-06 CN disclosed