SCHEMBL6219987

SCHEMBL6219987

CCN(CC)C(C)CCCNC(N)=NC(=O)c1cccc(F)c1CCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.56
▸ MTNR1A P48039 2/20 0.38
▸ REN P00797 3/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL3093419 0.80 MC4R (0.69) MC4R
SCHEMBL13723873 0.68 MC4R (0.55) MC4R
SCHEMBL3093411 0.67 MC4R (0.72) MC4R
SCHEMBL3082128 0.67 MCL1 (0.54) MC4RMTNR1A
SCHEMBL13725011 0.66 MC4R (0.47) MC4RMTNR1A
SCHEMBL6222879 0.65 MC4R (0.54) MC4R
SCHEMBL3093429 0.63 MC4R (0.54) MC4RMTNR1A
SCHEMBL3095690 0.62 KDM4E (0.48) MC4R
SCHEMBL30344504 0.59 MEN1 (0.61) MTNR1A
SCHEMBL29357161 0.59 MTNR1A (0.55) MTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590338-A2 MODULATORS OF MELANOCORTIN RECEPTOR Gene Logic Inc. (US) 2005-11-02 — — EP disclosed
WO-2004050610-A2 MODULATORS OF MELANOCORTIN RECEPTOR GENE LOGIC INC. (US) 2004-06-17 — — WO disclosed
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