SCHEMBL6776505

SCHEMBL6776505

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)Nc1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALOX15 P16050 1/20 0.41
HTR2A P28223 3/20 0.41
CCR3 P51677 3/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASR P41180 1/20 0.40
HPGD P15428 1/20 0.39
PTPN1 P18031 1/20 0.39
NPY1R P25929 1/20 0.39
ATR Q13535 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL6782550 0.90 TLR7 (0.40) KMT2AHTR2ACCR3MAPTALDH1A1
SCHEMBL6779814 0.90 FAAH (0.47) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL6782960 0.89 CCR3 (0.39) KMT2AHSD17B10CCR3MAPTLMNA
SCHEMBL6782531 0.88 CCR3 (0.42) HTR2ACCR3MAPTNPC1RAB9A
SCHEMBL6768616 0.88 MCHR1 (0.47) KMT2AHSD17B10CCR3MAPTALDH1A1
SCHEMBL6779540 0.87 MAPT (0.44) KMT2AMAPTALDH1A1NPC1RAB9A
SCHEMBL6777586 0.86 PKM (0.47) PKMKMT2AHSD17B10ALOX15HTR2A
SCHEMBL6773645 0.83 HDAC3 (0.44) CCR3MAPTALDH1A1LMNA
SCHEMBL6776787 0.83 MEN1 (0.42) KMT2ACCR3MAPT
SCHEMBL6777954 0.83 TLR7 (0.41) KMT2AHSD17B10MAPTALDH1A1HPGD

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