SCHEMBL6772056

SCHEMBL6772056

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TP53 P04637 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6773884 0.96 TP53 (0.43) KDM4EHSD17B10ALDH1A1TSHRTP53
SCHEMBL6096076 0.88 TLR7 (0.45) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL6773388 0.86 TLR7 (0.37) KDM4EHPGDHSD17B10ALDH1A1TP53
SCHEMBL6096657 0.85 LMNA (0.39) SMN1; SMN2
SCHEMBL6779205 0.84 TLR7 (0.43) KDM4EHPGDHSD17B10ALDH1A1TP53
SCHEMBL6779797 0.84 BRD4 (0.36) MAPT
SCHEMBL6773525 0.84 TLR7 (0.41)
SCHEMBL6778890 0.83 TLR7 (0.40) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6779395 0.83 TLR7 (0.46) ALDH1A1HTR1ADRD2DRD4TP53
SCHEMBL6286213 0.82 HTT (0.46) KDM4EHPGDHSD17B10USP2ALDH1A1

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