SCHEMBL4592978

SCHEMBL4592978

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)c2ccc3c(c2)ncn3C)cc1.CCc1ccc(N(Cc2ccc3c(c2)ncn3C)C(=O)Nc2c(CC)c(N)cc(Cl)c2CC)cc1.CCc1ccc(N)c(CC)c1NC(=O)N(Cc1ccc(Cl)cc1)c1ccc(NC)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
GFER P55789 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4592977 0.94 NPC1 (0.32) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4600776 0.90 NPC1 (0.33) NPC1RAB9ASMN1; SMN2TP53GFER
SCHEMBL4592560 0.86 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53GFER
SCHEMBL4593086 0.85 NPC1 (0.38) NPC1RAB9ASMN1; SMN2TP53GFER
SCHEMBL4592886 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TP53GFER
SCHEMBL4592695 0.77 UTS2R (0.35)
SCHEMBL4592696 0.77 UTS2R (0.35)
SCHEMBL4592378 0.77 CNR2 (0.39) SMN1; SMN2POLBLMNA
SCHEMBL4592549 0.76 CNR2 (0.39) SMN1; SMN2POLBLMNA
SCHEMBL4592260 0.75 UTS2R (0.36) POLB

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