SCHEMBL7987447

SCHEMBL7987447

CN(c1cncn1Cc1ccc(-c2cncs2)cc1)C1CCOc2c(C(=O)O)cccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
LTB4R Q15722 3/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
PLAUR Q03405 1/20 0.30

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
SCHEMBL7984767 0.91 KDM4C (0.36) LTB4R
SCHEMBL7987456 0.79 FNTA (0.40)
SCHEMBL8128898 0.75 CAPN1 (0.39)
SCHEMBL7973955 0.74 PDE5A (0.32)
SCHEMBL7968966 0.73 FNTA (0.44) PLAUR
SCHEMBL8143718 0.72 P2RX3 (0.35)
SCHEMBL8134169 0.71 P2RX3 (0.35)
SCHEMBL8133580 0.71 FNTA (0.37)
SCHEMBL8134677 0.71 ITGB1 (0.33)
SCHEMBL8131691 0.70 FNTA (0.37)

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