SCHEMBL16026816

SCHEMBL16026816

COc1ccc2[nH]c3c(c2c1)CC(NC(=O)O)CC3

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.62
HTR1D P28221 2/20 0.62
HTR1A P08908 2/20 0.54
BAZ2B Q9UIF8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
KDR P35968 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 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
SCHEMBL1878625 0.89 HTR1D (0.60) HTR1BHTR1DHTR1ABAZ2BMEN1
SCHEMBL24408396 0.87 HTR1B (0.57) HTR1BHTR1DHTR1ABAZ2BMEN1
SCHEMBL16026868 0.86 HTR1A (0.58) HTR1BHTR1DHTR1AMEN1KMT2A
SCHEMBL16026823 0.86 HTR1B (0.48) HTR1BHTR1DHTR1AMEN1KMT2A
SCHEMBL14880114 0.84 HTR1B (0.65) HTR1BHTR1DHTR1ABAZ2BMEN1
SCHEMBL2429520 0.82 HTR1A (0.54) HTR1BHTR1DHTR1ABAZ2BKMT2A
SCHEMBL16026808 0.82 SIRT1 (0.54) HTR1BHTR1DHTR1ABAZ2BKMT2A
SCHEMBL4899580 0.82 HTR1A (0.54) HTR1BHTR1DHTR1ABAZ2BKMT2A
SCHEMBL11831865 0.82 HTR1D (0.66) HTR1BHTR1DBAZ2BMEN1KMT2A
SCHEMBL7111545 0.82 MTNR1A (0.57) HTR1BHTR1DHTR1AHTR7

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