SCHEMBL13190976

SCHEMBL13190976

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCN1CCCCC1)NCCNC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.52
▸ TACR2 P21452 5/20 0.51
▸ RAB9A P51151 1/20 0.44
▸ CCR5 P51681 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ UTS2R Q9UKP6 1/20 0.41
▸ SMYD2 Q9NRG4 1/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.41
▸ CACNA1G O43497 1/20 0.41

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
SCHEMBL13689521 0.95 OPRK1 (0.51) OPRK1TACR2RAB9AEPHX2KDM4E
SCHEMBL13691863 0.87 TACR2 (0.49) OPRK1TACR2RAB9AKDM4EALDH1A1
SCHEMBL13689526 0.84 SMYD2 (0.45) EPHX2SMYD2CACNA1G
SCHEMBL13691861 0.84 OPRK1 (0.55) OPRK1TACR2RAB9AKDM4EALDH1A1
SCHEMBL13691662 0.84 TMEM97 (0.47) OPRK1RAB9AEPHX2TMEM97SIGMAR1
SCHEMBL13691797 0.83 DRD2 (0.54) TMEM97SIGMAR1
SCHEMBL13691800 0.82 OPRK1 (0.49) OPRK1TACR2RAB9ACCR5KDM4E
SCHEMBL13691855 0.82 DRD2 (0.45) OPRK1TACR2ALDH1A1UTS2RCACNA1G
SCHEMBL13691857 0.81 DRD2 (0.45) OPRK1TACR2ALDH1A1UTS2R
SCHEMBL13691854 0.81 OPRK1 (0.47) OPRK1TACR2RAB9AEPHX2KDM4E

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-2010096853-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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