SCHEMBL31318554

SCHEMBL31318554

Fc1ccc2c(c1)NCC1(CC1)O2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
FABP6 P51161 1/20 0.34
AKR1B1 P15121 3/20 0.33
AKR1B10 O60218 1/20 0.33
MAPT P10636 1/20 0.33
AKR1A1 P14550 1/20 0.33
DRD2 P14416 3/20 0.33
HTR2A P28223 3/20 0.33
HTR5A P47898 2/20 0.33
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL13090969 0.79 HSD17B10 (0.49) MAPTHTR5AKMT2A
SCHEMBL1670891 0.79 AHR (0.35) HTR2CMAPTKMT2A
SCHEMBL9130257 0.79 MEN1 (0.39) MAPTKMT2AEPHX2
SCHEMBL31751274 0.74 TSHR (0.45) HTR2CMAPTKCNH2
SCHEMBL31318556 0.74 ALOX5 (0.40) HTR2CMAPTHTR5AKMT2A
SCHEMBL13209512 0.74 ALOX5 (0.40) HTR2CMAPTHTR5AKMT2A
SCHEMBL23957135 0.71 DRD2 (0.48) HTR2CDRD2HTR2AEPHX2KCNH2
SCHEMBL31750428 0.70 ALOX5 (0.51) MAPTKMT2AKCNH2
SCHEMBL31318578 0.70 CCNC (0.30)
SCHEMBL21762790 0.70 HTR2C (0.34) HTR2CAKR1B1AKR1B10MAPTAKR1A1

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
CN-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed