SCHEMBL16026868

SCHEMBL16026868

Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)O)CC3

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.58
HTR1B P28222 2/20 0.58
HTR1D P28221 1/20 0.58
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
HTR1E P28566 1/20 0.53
HTR7 P34969 1/20 0.53
OPRM1 P35372 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
KMT2A Q03164 2/20 0.53
RB1 P06400 4/20 0.52
SIRT1 Q96EB6 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL4899580 0.86 HTR1A (0.54) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026808 0.86 SIRT1 (0.54) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL2429520 0.86 HTR1A (0.54) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026816 0.86 HTR1B (0.62) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026774 0.83 HTR1B (0.51) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL14693721 0.83 NR2E1 (0.56) HTR1AHTR1BHTR1DRB1
SCHEMBL11845531 0.82 SIRT1 (0.55) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL16026823 0.81 HTR1B (0.48) HTR1AHTR1BHTR1DDRD2DRD4
Oxalic Acid SCHEMBL7540449 0.80 HTR1B (0.66) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7412705 0.79 L3MBTL1 (0.51) HTR1AHTR1BHTR1DKMT2ARB1

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-2558447-B1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-17 EP disclosed