SCHEMBL6851617

SCHEMBL6851617

CC1Oc2cccc3c4c(n(c23)C1Cc1ccccc1)CCN(C(=O)O)CC4

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.34
FABP4 P15090 6/20 0.33
FABP3 P05413 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL6847665 0.79 PTGDR2 (0.33) PTGDR2FABP4FABP3MEN1ALDH1A1
SCHEMBL7672109 0.75 HTR2C (0.39) PTGDR2FABP4MEN1ALDH1A1KMT2A
SCHEMBL6850299 0.73 KDM4E (0.38) PTGDR2FABP4FABP3MEN1KMT2A
SCHEMBL6851622 0.72 LTB4R (0.37) PTGDR2MEN1ALDH1A1KMT2ACNR1
SCHEMBL6491761 0.70 CHRM1 (0.38) PTGDR2ENPP2CNR1
SCHEMBL6495688 0.69 MEN1 (0.47) PTGDR2SMN1; SMN2MEN1ALDH1A1HTT
SCHEMBL7037197 0.67 DPP4 (0.35) PTGDR2FABP4FABP3MEN1ALDH1A1
SCHEMBL6851523 0.66 HTR2A (0.39) PTGDR2FABP4CNR1
SCHEMBL6496372 0.66 PTGDR2 (0.36) PTGDR2FABP4MEN1ALDH1A1KMT2A
SCHEMBL6485143 0.66 HTR2C (0.46) PTGDR2FABP4MEN1ALDH1A1KMT2A

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