SCHEMBL6768623

SCHEMBL6768623

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.43
RBP4 P02753 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 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
SCHEMBL6779023 0.91 GAA (0.40) CCR2HSD11B1MGLL
SCHEMBL6773368 0.89 TLR7 (0.43)
SCHEMBL6773545 0.88 TLR7 (0.43)
SCHEMBL6768740 0.87 NPC1 (0.42) HPGD
SCHEMBL6772904 0.86 TLR7 (0.39) HSD11B1ALDH1A1LMNA
SCHEMBL6769722 0.85 MAPK7 (0.42) HSD11B1MGLL
SCHEMBL6773100 0.83 RAB9A (0.46)
SCHEMBL6777740 0.82 LMNA (0.46) KDM4EALDH1A1LMNAHPGD
SCHEMBL6772811 0.81 ALDH1A1 (0.46) ABL1BCRALDH1A1POLB
SCHEMBL6779825 0.81 MEN1 (0.40) KDM4EALDH1A1LMNA

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-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed