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SCHEMBL4592977

SCHEMBL4592977

CCc1c(N)cc(Cl)c(CC)c1NC(=O)N(Cc1ccc(Cl)cc1)c1ccc(NC)cc1.CCc1ccc(N(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)C(C)c2ccc3[nH]cnc3c2)cc1.CCc1ccc(N(C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)C(C)c2ccc3c(c2)ncn3C)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(Cl)cc1)c1ccc(NC)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL4592978 0.94 NPC1 (0.34) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4600776 0.87 NPC1 (0.33) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4592560 0.83 NPC1 (0.39) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4593086 0.82 NPC1 (0.38) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4592887 0.81 QPCT (0.31) NPC1RAB9A
SCHEMBL4592886 0.77 NPC1 (0.40) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4592695 0.74 UTS2R (0.35) —
SCHEMBL4592696 0.74 UTS2R (0.35) —
SCHEMBL4592378 0.74 CNR2 (0.39) SMN1; SMN2
SCHEMBL4592549 0.73 CNR2 (0.39) SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885691-A1 C5A RECEPTOR ANTAGONISTS Jerini AG (DE) 2008-02-13 — — EP claimed
WO-2006128670-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-12-07 — — WO claimed