SCHEMBL13189110

SCHEMBL13189110

CCCCCN(C)CC[C@H](NCCNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N(C)C[C@@H](CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.48
▸ SIGMAR1 Q99720 3/20 0.48
▸ CCKBR P32239 3/20 0.45
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ CCKAR P32238 2/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ OPRK1 P41145 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL13189120 0.90 SIGMAR1 (0.58) TMEM97SIGMAR1ALDH1A1MEN1GAA
SCHEMBL13691863 0.82 TACR2 (0.49) TMEM97SIGMAR1ALDH1A1OPRK1
SCHEMBL13691861 0.80 OPRK1 (0.55) TMEM97SIGMAR1ALDH1A1CYP3A4CYP2C9
SCHEMBL13691662 0.78 TMEM97 (0.47) TMEM97SIGMAR1LMNACYP2C9GPR139
SCHEMBL13189116 0.76 UTS2R (0.39) TMEM97SIGMAR1ALDH1A1TSHRDRD2
SCHEMBL13189113 0.76 UTS2R (0.38) TMEM97SIGMAR1GPR139DRD2DRD4
SCHEMBL13689521 0.74 OPRK1 (0.51) TMEM97SIGMAR1ALDH1A1OPRK1DRD2
SCHEMBL13190976 0.73 OPRK1 (0.52) TMEM97SIGMAR1ALDH1A1GPR139OPRK1
SCHEMBL13691855 0.72 DRD2 (0.45) ALDH1A1OPRK1DRD2DRD4DRD3
SCHEMBL13189114 0.71 PIN1 (0.40) CCKBROPRK1DRD2DRD3KMT2A

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
WO-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
Send feedback