SCHEMBL6783335

SCHEMBL6783335

CC(=O)c1cccc(NC(=O)NCCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 12/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.44
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6773506 0.94 NPC1 (0.47) CCR3RAB9ANPC1MAPTKDM4E
SCHEMBL6772950 0.89 FAAH (0.53) CCR3RAB9AMAPTKDM4EFAAH
SCHEMBL6778719 0.88 KMT2A (0.48) CCR3RAB9ANPC1MAPTHTR2A
SCHEMBL6778012 0.88 CCR3 (0.45) CCR3RAB9AMAPTKDM4EKMT2A
SCHEMBL6781852 0.87 CCR3 (0.42) CCR3RAB9ANPC1MAPTHTR2A
SCHEMBL6776742 0.87 CCR3 (0.48) CCR3RAB9ANPC1HTR2ASMN1; SMN2
SCHEMBL6776784 0.83 ALDH1A1 (0.48) KDM4EKMT2AFAAHLMNAPOLB
SCHEMBL6777932 0.82 MAPT (0.43) CCR3RAB9ANPC1MAPTHTR2A
SCHEMBL6777152 0.82 MAPT (0.45) CCR3NPC1MAPTKDM4EKMT2A
SCHEMBL6782875 0.82 MAPT (0.47) CCR3RAB9ANPC1MAPTHTR2A

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed