SCHEMBL7962541

SCHEMBL7962541

Fc1cc(I)c2c(C3CCNCC3)nsc2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CHRM4 P08173 1/20 0.30

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
SCHEMBL1545776 0.74 CYP1A2 (0.41) MKNK1MKNK2MAPK13RAF1MAPK9
Hydrochloric Acid SCHEMBL6221807 0.73 CYP1A2 (0.41) MKNK1MKNK2MAPK13RAF1MAPK9
SCHEMBL6220554 0.71 HTR1A (0.40)
SCHEMBL7954724 0.71 MKNK1 (0.40) MKNK1MKNK2MAPK13RAF1MAPK9
SCHEMBL7955068 0.69 GRM4 (0.40)
SCHEMBL7966598 0.66 HTR2C (0.46) CHRM4
SCHEMBL1545124 0.64 KDM4E (0.49)
Hydrochloric Acid SCHEMBL1838069 0.63 KDM4E (0.51)
SCHEMBL7964862 0.61 JUND (0.39)
SCHEMBL19262502 0.61 SLC6A2 (0.42) MKNK1MKNK2

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-6207680-B1 FOR THERAPY OF PSYCHOLOGICAL DISORDERS AND PAIN AVENTIS PHARMACEUTICALS INC. 2001-03-27 US disclosed