SCHEMBL13689521

SCHEMBL13689521

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCCN1CCCCC1)NCCNC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.51
▸ TACR2 P21452 2/20 0.48
▸ SMYD2 Q9NRG4 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ CCR2 P41597 1/20 0.40

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
SCHEMBL13190976 0.95 OPRK1 (0.52) OPRK1TACR2SMYD2KDM4EALDH1A1
SCHEMBL13691863 0.92 TACR2 (0.49) OPRK1TACR2SMYD2KDM4EALDH1A1
SCHEMBL13689526 0.89 SMYD2 (0.45) SMYD2EPHX2DRD2DRD3
SCHEMBL13691797 0.89 DRD2 (0.54) TMEM97SIGMAR1DRD2DRD3DRD4
SCHEMBL13691800 0.87 OPRK1 (0.49) OPRK1TACR2KDM4EALDH1A1RAB9A
SCHEMBL13691662 0.86 TMEM97 (0.47) OPRK1RAB9ATMEM97SIGMAR1EPHX2
SCHEMBL13691861 0.82 OPRK1 (0.55) OPRK1TACR2KDM4EALDH1A1RAB9A
SCHEMBL13190970 0.79 DRD2 (0.51) DRD2DRD3CCR2
SCHEMBL13689531 0.79 DRD3 (0.52) DRD2DRD3
SCHEMBL13691792 0.78 DRD2 (0.52) DRD2DRD3CCR2

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-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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