SCHEMBL7683084

SCHEMBL7683084

COC(=O)c1cc2oc(CN(C)C)cc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
LMNA P02545 1/20 0.56
ABCB11 O95342 1/20 0.55
TP53 P04637 2/20 0.53
CCR2 P41597 6/20 0.46
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7681355 0.89 MAPT (0.61) MAPTLMNAABCB11TP53CCR2
SCHEMBL7682986 0.89 ABCB11 (0.71) ABCB11CCR2
SCHEMBL7680923 0.83 ABCB11 (0.65) MAPTLMNAABCB11TP53CCR2
SCHEMBL7679550 0.83 MAPT (0.62) MAPTLMNAABCB11TP53CCR2
SCHEMBL7508693 0.81 MAPT (0.60) MAPTLMNAABCB11TP53CCR2
SCHEMBL7511032 0.80 MAPT (0.59) MAPTLMNAABCB11TP53CCR2
SCHEMBL7676152 0.80 MAPT (0.58) MAPTLMNAABCB11TP53CCR2
SCHEMBL7517302 0.78 MAPT (0.80) MAPTLMNAABCB11TP53THRB
SCHEMBL7679796 0.75 MAPT (0.80) MAPTLMNAABCB11TP53THRB
SCHEMBL7701288 0.75 MAPT (0.76) MAPTLMNAABCB11TP53THRB

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-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed