SCHEMBL23536722

SCHEMBL23536722

Fc1cccc2[nH]cc(C3=CCCCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
HTR2A P28223 9/20 0.44
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
SLC6A4 P31645 2/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7882932 0.78 HTR2C (0.61) FFAR1GPR84HTR2AHTR6HTR2C
SCHEMBL23570163 0.77 HTR2A (0.42) HTR2AHTR1AHTR6HTR2CCCNE1
SCHEMBL6296691 0.75 DRD2 (0.60) HTR2AHTR1AHTR6HTR2CCCNE1
SCHEMBL7859774 0.75 SLC6A4 (0.64) HTR1AHTR6SLC6A4KDM4EALOX15
Ethylene SCHEMBL7481976 0.73 DRD2 (0.57) HTR2AHTR1AHTR6HTR2CCCNE1
SCHEMBL18951170 0.73 PTGS2 (0.42)
SCHEMBL6638540 0.72 FFAR1 (0.38) FFAR1GPR84HTR2AHTR1AHTR7
SCHEMBL1256596 0.72 PTGS2 (0.47)
SCHEMBL1255397 0.71 PTGS2 (0.46)
SCHEMBL18324716 0.71 TDO2 (0.67) HTR1AHTR6SLC6A4KDM4EALOX15

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed