SCHEMBL7917182

SCHEMBL7917182

COc1ccc(Cc2ccc(N3CCC3)nc2)c(F)c1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.40
DPP4 P27487 3/20 0.38
KLKB1 P03952 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAP4K1 Q92918 2/20 0.35
GRIN2B Q13224 2/20 0.34

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
SCHEMBL3786675 0.90 CNR2 (0.41) CACNA1HKLKB1SMN1; SMN2RAB9ATP53
SCHEMBL3796449 0.88 CACNA1H (0.41) CACNA1HKLKB1SMN1; SMN2RAB9ATP53
SCHEMBL7914426 0.84 GRM5 (0.35) DPP4KLKB1SMN1; SMN2LMNATP53
SCHEMBL7907025 0.83 GAA (0.40) CYP11B1CYP11B2SMN1; SMN2LMNATP53
SCHEMBL3795599 0.82 HTR1A (0.42) SMN1; SMN2RAB9AMAP4K1
SCHEMBL13869184 0.80 CYP11B1 (0.36) CACNA1HDPP4CYP11B1CYP11B2SMN1; SMN2
SCHEMBL7904612 0.79 ALDH1A1 (0.41) CACNA1HSMN1; SMN2RAB9AHPGD
SCHEMBL3788894 0.78 TRPV1 (0.39) CACNA1HSMN1; SMN2RAB9A
SCHEMBL4325189 0.77 MELK (0.38) SMN1; SMN2RAB9A
SCHEMBL3469413 0.77 GRM5 (0.42) CACNA1HHCRTR1HCRTR2

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed