SCHEMBL13297091

SCHEMBL13297091

CNC(=S)N/N=C(C)/C(C)=N/NC(=S)NCCCCCC(=O)NC(CCC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NC(C(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 14/20 0.65

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
SCHEMBL13297337 1.00 GRPR (0.65) GRPR
SCHEMBL17326128 0.98 GRPR (0.63) GRPR
SCHEMBL13297335 0.98 GRPR (0.63) GRPR
SCHEMBL13297090 0.98 GRPR (0.63) GRPR
SCHEMBL14864723 0.89 GRPR (0.72) GRPR
SCHEMBL4344249 0.88 GRPR (0.69) GRPR
SCHEMBL16300490 0.88 GRPR (0.72) GRPR
SCHEMBL28758393 0.85 GRPR (0.67) GRPR
SCHEMBL16508339 0.85 GRPR (0.69) GRPR
SCHEMBL19102240 0.85 GRPR (0.69) GRPR

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-2010066010-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICAL BIS(THIOSEMICARBAZONES) THE UNIVERSITY OF MELBOURNE (AU) 2010-06-17 — — WO disclosed
Send feedback