SCHEMBL7984767

SCHEMBL7984767

CN(c1cncn1Cc1ccc(-c2ccccc2)cc1)C1CCOc2c(C(=O)O)cccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.36
CHRM1 P11229 2/20 0.35
FNTA P49354 1/20 0.34
PGGT1B P53609 1/20 0.34
KDM6B O15054 3/20 0.33
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
IDO1 P14902 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
SCHEMBL7987447 0.91 GPR119 (0.31) LTB4R
SCHEMBL8128898 0.81 CAPN1 (0.39)
SCHEMBL7984772 0.78 FNTA (0.44) FNTAPGGT1B
SCHEMBL8143718 0.77 P2RX3 (0.35)
SCHEMBL8134169 0.76 P2RX3 (0.35) CYP11B1CYP11B2
SCHEMBL8133580 0.75 FNTA (0.37) FNTAPGGT1BCYP11B1CYP11B2
SCHEMBL8134677 0.75 ITGB1 (0.33)
SCHEMBL8112875 0.75 FNTA (0.40) FNTAPGGT1BCYP11B1CYP11B2
SCHEMBL8125473 0.75 CCR3 (0.38) FNTAPGGT1BSMN1; SMN2
SCHEMBL8131691 0.75 FNTA (0.37) FNTAPGGT1BCYP11B1CYP11B2

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-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed