SCHEMBL13691875

SCHEMBL13691875

CC[C@H](CNC(=O)[C@H](CCCN1CCCCC1)NC(C)CNC(=O)c1ccc2cc(Cl)ccc2c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.45
▸ DRD2 P14416 6/20 0.45
▸ SLC6A4 P31645 2/20 0.41
▸ ADRA1A P35348 3/20 0.40
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ MC1R Q01726 1/20 0.40
▸ UTS2R Q9UKP6 4/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL13691766 0.77 DRD3 (0.50) DRD3DRD2SLC6A4ADRA1AMC4R
SCHEMBL13691761 0.77 DRD3 (0.43) DRD3DRD2MC4RMC5RMC3R
SCHEMBL13689520 0.76 DRD3 (0.49) DRD3DRD2SLC6A4ADRA1AMC4R
SCHEMBL13689525 0.74 DRD3 (0.51) DRD3DRD2SLC6A4ADRA1AMC4R
SCHEMBL13691854 0.73 OPRK1 (0.47) UTS2RKMT2A
SCHEMBL13691800 0.73 OPRK1 (0.49) TP53KMT2A
SCHEMBL13691855 0.73 DRD2 (0.45) DRD3DRD2SLC6A4ADRA1AUTS2R
SCHEMBL13691767 0.73 DRD3 (0.56) DRD3DRD2SLC6A4ADRA1AMC4R
SCHEMBL13691779 0.73 DRD2 (0.44) DRD3DRD2SLC6A4ADRA1AMC4R
SCHEMBL13689546 0.73 DRD2 (0.44) DRD3DRD2SLC6A4ADRA1AMC4R

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-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
Send feedback