SCHEMBL13723871

SCHEMBL13723871

Bc1ccc(OC)c(CCc2sccc2C(=O)NC(=N)NCCN(CC)CC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.52
▸ LMNA P02545 3/20 0.41
▸ ADRA2A P08913 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ BLM P54132 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR3E A5X5Y0 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
SCHEMBL3082223 0.90 MC4R (0.64) MC4RLMNAADRA2ACYP2D6DRD3
SCHEMBL13146998 0.81 MC4R (0.54) MC4RLMNAADRA2ACYP2D6DRD3
SCHEMBL13724393 0.80 MC4R (0.44) MC4RLMNAALDH1A1RAB9A
SCHEMBL3095881 0.79 MC4R (0.59) MC4RLMNAALDH1A1
SCHEMBL3095639 0.78 MC4R (0.56) MC4RLMNAALDH1A1
SCHEMBL3077931 0.76 MC4R (0.73) MC4RLMNAALDH1A1MCHR1
SCHEMBL6222224 0.76 MC4R (0.64) MC4RALDH1A1MCHR1
SCHEMBL3072120 0.76 MC4R (0.64) MC4RALDH1A1MCHR1
SCHEMBL3089926 0.73 MC4R (0.57) MC4RTSHRALDH1A1
SCHEMBL3095817 0.73 MC4R (0.49) MC4RDRD3SIGMAR1ALDH1A1

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