SCHEMBL1663084

SCHEMBL1663084

COc1cc(F)c(N2CCNCC2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 4/20 0.36
ROCK2 O75116 1/20 0.35
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
KDR P35968 1/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
ADRB1 P08588 1/20 0.34
DRD2 P14416 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL1663063 0.99 HTR7 (0.37) HTR7FFAR4HTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL1583979 0.78 HTR3E (0.45) HTR7HTR2AHTR2CROCK2HTR3E
Hydrochloric Acid SCHEMBL1665462 0.78 SLC6A2 (0.47) HTR2AHTR2CHTR6ROCK2KDR
Hydrochloric Acid SCHEMBL1662924 0.77 LMNA (0.38) HTR2AHTR2CHTR6HTR3EHTR3B
SCHEMBL2766363 0.76 HTR3E (0.54) HTR7FFAR4HTR6HTR3EHTR3B
SCHEMBL8276483 0.75 DRD2 (0.58) HTR7HTR2AHTR2CHTR6HTR3E
SCHEMBL1583742 0.75 SLC6A2 (0.45) HTR2CKDRKMT2A
SCHEMBL1583680 0.75 P2RX7 (0.42) HTR2CKDRDRD2KMT2A
Hydrochloric Acid SCHEMBL10705356 0.74 ATM (0.59) HTR7HTR2AHTR2CHTR6HTR3E
SCHEMBL8306413 0.74 HTR1A (0.39) HTR7HTR2AHTR2CHTR3A

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed