SCHEMBL6222224

SCHEMBL6222224

CCN(CC)CCN(CC)C(=N)NC(=O)c1ccsc1CCc1cc(Br)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.64
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL3072120 0.91 MC4R (0.64) MC4RALDH1A1GAAMAPTMCHR1
SCHEMBL3082223 0.86 MC4R (0.64) MC4RALDH1A1GAAMAPTMCHR1
SCHEMBL14193875 0.84 MC4R (0.58) MC4RALDH1A1GAAMAPT
SCHEMBL3077931 0.83 MC4R (0.73) MC4RALDH1A1GAAMAPTMCHR1
SCHEMBL3082228 0.82 MC4R (0.75) MC4R
SCHEMBL6222230 0.82 MC4R (0.60) MC4RALDH1A1GAAMAPT
SCHEMBL3085659 0.80 MC4R (0.55) MC4RALDH1A1GAAMAPT
SCHEMBL3095881 0.79 MC4R (0.59) MC4RALDH1A1GAAMAPT
SCHEMBL3077933 0.78 MC4R (1.00) MC4R
SCHEMBL13146998 0.78 MC4R (0.54) MC4RALDH1A1GAAMAPTMCHR1

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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