SCHEMBL8551441

SCHEMBL8551441

CCCCc1sc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.49
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HTR1F P30939 1/20 0.45
PDPK1 O15530 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
CSNK2A2 P19784 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44

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
Sulfuric Acid SCHEMBL8551754 0.87 TMEM97 (0.43) ACKR3TMEM97SIGMAR1MCHR1TRPV1
SCHEMBL8183280 0.82 HTR1F (0.57) ACKR3TMEM97SIGMAR1HTR1FPDPK1
SCHEMBL8551588 0.82 TMEM97 (0.48) ACKR3TMEM97SIGMAR1HTR1FPDPK1
SCHEMBL8548549 0.77 HTR1F (0.50) ACKR3TMEM97SIGMAR1HTR1FPDPK1
SCHEMBL8547156 0.77 HTR1F (0.49) HTR1FMCHR1MAPTKCNK3KCNK9
SCHEMBL8551891 0.73 HTR1F (0.49) ACKR3HTR1FPDPK1CHEK2ABL1
Malonic Acid SCHEMBL8548925 0.72 HTR1F (0.47) ACKR3HTR1FPDPK1CHEK2ABL1
SCHEMBL8551502 0.72 HTR1F (0.46) HTR1FMAPT
SCHEMBL8550328 0.71 FLT1 (0.37) ACKR3HTR1FPDPK1CHEK2ABL1
SCHEMBL7140234 0.71 HTR1F (0.77) HTR1FPDPK1CHEK2ABL1EGFR

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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed