SCHEMBL13724004

SCHEMBL13724004

Bc1ccc(OC)c(COc2c(F)cccc2C(=O)NC(=N)NCCCN2CCCCC2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MC4R P32245 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CACNA1G O43497 10/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL3088805 0.92 MC4R (0.47) HSD17B10CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL13724456 0.89 MC4R (0.44) CYP2D6MC4R
SCHEMBL3095937 0.80 MC4R (0.54) MC4R
SCHEMBL3095803 0.80 MC4R (0.58) HSD17B10MC4R
SCHEMBL3088810 0.77 MC4R (0.62) HSD17B10MC4RMAPT
SCHEMBL13724506 0.76 MC4R (0.46) MC4RMAPTLMNAALDH1A1
SCHEMBL3081882 0.71 LMNA (0.45) MC4RCACNA1GMAPTLMNATP53
SCHEMBL3823723 0.70 MC4R (0.58) HSD17B10MC4R
SCHEMBL13147009 0.70 MC4R (0.56) MC4R
SCHEMBL13147352 0.70 MC4R (0.60) MC4R

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
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP disclosed
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