SCHEMBL13724456

SCHEMBL13724456

Bc1ccc(OC)c(COc2c(F)cccc2C(=O)NC(=N)NCCCN2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.44
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC29A1 Q99808 1/20 0.40
▸ MCHR1 Q99705 4/20 0.39
▸ MCHR2 Q969V1 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTR4 Q13639 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ MET P08581 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38

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
SCHEMBL3095937 0.91 MC4R (0.54) MC4RDRD2DRD4DRD3SLC29A1
SCHEMBL13724004 0.89 HSD17B10 (0.44) MC4RCYP2D6
SCHEMBL3088805 0.80 MC4R (0.47) MC4RCYP2D6
SCHEMBL13724506 0.80 MC4R (0.46) MC4R
SCHEMBL13180228 0.79 MC4R (0.48) MC4RDRD2DRD4DRD3ADORA2A
SCHEMBL3090271 0.77 MC4R (0.72) MC4R
SCHEMBL3095952 0.75 MC4R (0.76) MC4R
SCHEMBL13147367 0.75 MC4R (0.73) MC4R
SCHEMBL14193791 0.74 MC4R (0.72) MC4R
SCHEMBL3089431 0.72 MC4R (0.71) MC4RDRD3

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
Send feedback