SCHEMBL8205571

SCHEMBL8205571

CC(C(=O)c1ccccc1)c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 2/20 0.50
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PGR P06401 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
FPR2 P25090 3/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 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
SCHEMBL27693248 0.81 FPR2 (0.44) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL11625004 0.81 KDM4E (0.45) ADRA2AADRA2BADRA2CCYP3A4CSNK1A1
SCHEMBL10612552 0.81 ADRA2A (0.44) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL570524 0.79 ADRA2A (0.47) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL7649635 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Hydrochloric Acid SCHEMBL28220351 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
Bromide SCHEMBL28219788 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL8207306 0.76 ALDH1A1 (0.45) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL6448258 0.75 FPR2 (0.43) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL28626525 0.75 FPR2 (0.43) ADRA2AADRA2BADRA2CCSNK1A1TYRO3

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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed