SCHEMBL9979557

SCHEMBL9979557

O=C1c2cccc(CO)c2CN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.45
CBLB Q13191 8/20 0.44
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
CHRNB2 P17787 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNA4 P43681 1/20 0.40
GRM2 Q14416 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TIPARP Q7Z3E1 1/20 0.38

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
SCHEMBL9979554 0.87 UGCG (0.43) UGCGCBLBPTGS1PTGS2
SCHEMBL9979552 0.84 UGCG (0.41) UGCGCBLB
SCHEMBL9979657 0.83 NPC1 (0.55) UGCGCBLB
SCHEMBL9979556 0.83 GRM1 (0.43) UGCGCBLBFPR1FPR2
SCHEMBL9979658 0.83 UGCG (0.42) UGCGCBLB
SCHEMBL9979551 0.83 UGCG (0.45) UGCGCBLBCHRNB2HTR1BSLC6A4
SCHEMBL9979553 0.80 UGCG (0.43) UGCGCBLBPTGS1PTGS2
SCHEMBL9979629 0.77 PPARD (0.41) UGCGCBLBFPR1FPR2CHRNB2
SCHEMBL9979627 0.76 UGCG (0.45) UGCGCBLBFPR2CHRNB2HTR1B
SCHEMBL9979509 0.76 UGCG (0.42) UGCGCHRNB2HTR1BSLC6A4CHRNA4

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed