SCHEMBL5599440

SCHEMBL5599440

C=CC[C@@H]1c2ccccc2C2(CCNCC2)CN1C(=O)c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PDE4B Q07343 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KMT2A Q03164 2/20 0.32
DPP4 P27487 1/20 0.31
MAPK10 P53779 2/20 0.31
PARP1 P09874 1/20 0.31
GRM5 P41594 2/20 0.31
MEN1 O00255 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
MAPK8 P45983 1/20 0.31
USP2 O75604 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5599341 0.91 TSHR (0.33) KDM4ETP53RXFP1KMT2APARP1
SCHEMBL5599671 0.85 KMT2A (0.33) KMT2AMEN1
SCHEMBL5599346 0.80 KMT2A (0.37) TP53KMT2A
SCHEMBL5599778 0.77 KMT2A (0.39) KDM4EKMT2AMEN1USP2
SCHEMBL5599143 0.77 CYP2C9 (0.37)
SCHEMBL5599653 0.74 KMT2A (0.41) KDM4EKMT2AMEN1
SCHEMBL5786885 0.70 GNRHR (0.33) KDM4ETP53KMT2ADPP4MEN1
SCHEMBL5578482 0.68 SIGMAR1 (0.43) CYP2D6
SCHEMBL5578603 0.67 SIGMAR1 (0.46) KDM4EGRM5HTR2AHTR2C
SCHEMBL5635880 0.64 GRIN2B (0.44) KDM4EKMT2AMEN1

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-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO claimed