SCHEMBL13189114

SCHEMBL13189114

CC[C@H](CN(C)C(=O)[C@H](CCC(=O)N1CCCCC1)NCCNC(=O)c1ccc2cc(Cl)ccc2c1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.40
▸ CCKBR P32239 2/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 3/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CACNA1G O43497 2/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ OPRK1 P41145 1/20 0.35

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
SCHEMBL13691855 0.90 DRD2 (0.45) DRD2DRD3KMT2AHTR1ACACNA1G
SCHEMBL13691857 0.89 DRD2 (0.45) DRD2DRD3KMT2AHTR1ACCR1
SCHEMBL13691859 0.88 OPRK1 (0.43) DRD2DRD3RAB9ANPC1HTR1A
SCHEMBL13189113 0.86 UTS2R (0.38) DRD2DRD3KMT2ARAB9ANPC1
SCHEMBL13189116 0.85 UTS2R (0.39) DRD2DRD3KMT2ANPC1HTR1A
SCHEMBL13689546 0.82 DRD2 (0.44) DRD2DRD3KMT2AHTR1ACACNA1G
SCHEMBL13188483 0.82 DRD2 (0.44) DRD2DRD3KMT2AHTR1ACACNA1G
SCHEMBL19474295 0.82 DRD2 (0.44) DRD2DRD3KMT2AHTR1ACACNA1G
SCHEMBL13691779 0.82 DRD2 (0.44) DRD2DRD3KMT2AHTR1ACACNA1G
SCHEMBL13691778 0.82 DRD2 (0.44) DRD2DRD3KMT2AHTR1ACACNA1G

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
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