SCHEMBL15324014

SCHEMBL15324014

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(C3=CCC(c4ccccc4)(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)C=C3)cc2)cc1.CCCCc1ccc(N(c2ccc(C3=CCC(c4ccccc4)(N(c4ccc(CCCC)cc4)c4cccc(C)c4)C=C3)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
HSD11B1 P28845 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL2268711 0.98 CNR2 (0.32) CNR2HSD11B1LTB4R2
SCHEMBL221879 0.98 HSD11B1 (0.32) HSD11B1LTB4R2
SCHEMBL2770678 0.96 HSD11B1 (0.33) CNR2HSD11B1LTB4R2
SCHEMBL223518 0.93 CNR2 (0.36) CNR2HSD11B1LTB4R2
SCHEMBL2348248 0.89 HSD11B1 (0.36) HSD11B1LTB4R2
SCHEMBL8862832 0.89 ICMT (0.30)
SCHEMBL1323557 0.86
SCHEMBL253619 0.84 HSD11B1 (0.31) CNR2HSD11B1
SCHEMBL1344959 0.84
SCHEMBL2343295 0.83 HSD11B1 (0.32) HSD11B1

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
US-8563204-B2 Hydroxygallium hydroxyaluminum phthalocyanine silanol containing photoconductors XEROX CORPORATION (US) 2013-10-22 US claimed