SCHEMBL6776138

SCHEMBL6776138

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)Nc1cccc(C(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
FAAH O00519 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR3 P51677 6/20 0.38
HTR2A P28223 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL6782472 0.91 FAAH (0.47) MAPTFAAHKMT2AALDH1A1TLR7
SCHEMBL6772971 0.89 CCR3 (0.39) NPC1RAB9ATP53MAPTFAAH
SCHEMBL6782943 0.88 CCR3 (0.43) NPC1RAB9AMAPTCCR3HTR2A
SCHEMBL6782550 0.85 TLR7 (0.40) NPC1RAB9ATP53MAPTFAAH
SCHEMBL6894553 0.85 HDAC3 (0.44) NPC1RAB9ATP53MAPTFAAH
SCHEMBL6781852 0.85 CCR3 (0.42) NPC1RAB9ATP53MAPTCCR3
SCHEMBL6779395 0.84 TLR7 (0.46) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL6773388 0.84 TLR7 (0.37) TP53MAPTKMT2AALDH1A1GAA
SCHEMBL6096076 0.84 TLR7 (0.45) RAB9AGAASMN1; SMN2TLR7
SCHEMBL6771963 0.82 MAPT (0.46) NPC1RAB9ATP53MAPTKMT2A

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