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SCHEMBL2268708

SCHEMBL2268708

CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(C3C=CC(c4ccccc4)(N(c4ccc(C)cc4)c4ccc(CCCC)cc4)C=C3)cc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ HSD11B1 P28845 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
SCHEMBL221878 0.94 CNR2 (0.31) CNR2HSD11B1
SCHEMBL223517 0.91 CNR2 (0.38) CNR2HSD11B1
SCHEMBL8862830 0.84 — —
SCHEMBL1323554 0.83 — —
SCHEMBL253618 0.82 CNR2 (0.32) CNR2
SCHEMBL6760265 0.81 HSD11B1 (0.46) CNR2LTB4R2HSD11B1
SCHEMBL2770572 0.81 HSD11B1 (0.46) CNR2LTB4R2HSD11B1
SCHEMBL3185777 0.79 LTB4R2 (0.42) CNR2LTB4R2HSD11B1
SCHEMBL12779468 0.79 LTB4R2 (0.42) CNR2LTB4R2HSD11B1
SCHEMBL2773665 0.79 LTB4R2 (0.42) CNR2LTB4R2HSD11B1

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-8003289-B2 Ferrocene containing photoconductors XEROX CORPORATION (US) 2011-08-23 — — US disclosed