SCHEMBL9045397

SCHEMBL9045397

C[CH]CCCc1c(CC)cccc1C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LTB4R Q15722 4/20 0.34
LTB4R2 Q9NPC1 3/20 0.34
CLCN2 P51788 1/20 0.34
HTT P42858 1/20 0.34
F2R P25116 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
HSD17B1 P14061 1/20 0.33
BID P55957 3/20 0.32
BCL2L1 Q07817 3/20 0.32
MCL1 Q07820 3/20 0.32
BAK1 Q16611 3/20 0.32
MMP2 P08253 2/20 0.32
F7 P08709 2/20 0.32
F3 P13726 2/20 0.32
MAPT P10636 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9044047 0.88 CLCN2 (0.43) CLCN2HTTBIDBCL2L1MCL1
SCHEMBL9048247 0.84 GPR52 (0.40) F2RGPR52KDM4EHSD17B10LMNA
SCHEMBL9046560 0.84 GABRA1 (0.40) GABRA1GABRB2BIDBCL2L1MCL1
SCHEMBL9045394 0.82 AKR1B1 (0.39) HTTTSHR
SCHEMBL9045101 0.82 KMT2A (0.39) GPR52KDM4ELMNAL3MBTL1ALDH1A1
SCHEMBL9045271 0.81 GABRA1 (0.37) GABRA1GABRB2LTB4RLTB4R2CLCN2
SCHEMBL8615957 0.81 LMNA (0.41) HTTGPR52MAPTKDM4ELMNA
SCHEMBL9047469 0.81 CA2 (0.34) GABRA1GABRB2GPR52LMNAALDH1A1
SCHEMBL10499032 0.80 GABRA1 (0.48) GABRA1GABRB2CLCN2HTTF2R
SCHEMBL9057953 0.79 GABRA1 (0.41) GABRA1GABRB2LMNATSHR

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-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed