SCHEMBL6847665

SCHEMBL6847665

CC1(C)Oc2cccc3c4c(n(c23)C1Cc1ccccc1)CCN(C(=O)O)CC4

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.33
FABP4 P15090 5/20 0.33
FABP3 P05413 1/20 0.33
ENPP2 Q13822 3/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6851617 0.79 PTGDR2 (0.34) PTGDR2FABP4FABP3ENPP2MEN1
SCHEMBL6851523 0.74 HTR2A (0.39) PTGDR2FABP4
SCHEMBL6850299 0.72 KDM4E (0.38) PTGDR2FABP4FABP3MEN1KMT2A
SCHEMBL6851622 0.71 LTB4R (0.37) PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL7672109 0.68 HTR2C (0.39) PTGDR2FABP4MEN1ALDH1A1GAA
SCHEMBL6491761 0.67 CHRM1 (0.38) PTGDR2ENPP2TSHR
SCHEMBL7037197 0.67 DPP4 (0.35) PTGDR2FABP4FABP3MEN1ALDH1A1
SCHEMBL6496372 0.63 PTGDR2 (0.36) PTGDR2FABP4MEN1ALDH1A1GAA
SCHEMBL6485143 0.63 HTR2C (0.46) PTGDR2FABP4MEN1ALDH1A1KMT2A
SCHEMBL6495688 0.62 MEN1 (0.47) PTGDR2MEN1ALDH1A1GAAKMT2A

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-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed