Sugi Predict

Sugi Predict / Compounds / SCHEMBL19102241

SCHEMBL19102241

SCHEMBL19102241

CNC(=O)C(NC(=O)[C@H](C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCCCNC(=O)CCCC(=O)NC12CNCCNCC(N)(CNCCNC1)CNCCNC2)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 14/20 0.52
▸ GLP1R P43220 2/20 0.47
▸ IL23R Q5VWK5 1/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46
▸ NMBR P28336 1/20 0.46

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
SCHEMBL16508313 0.96 GRPR (0.52) GRPRGLP1RIL23RPCSK9NMBR
SCHEMBL21186302 0.90 GRPR (0.56) GRPRNMBR
SCHEMBL19365036 0.90 GRPR (0.57) GRPRNMBR
SCHEMBL16508351 0.86 BECN1 (0.36) GRPR
SCHEMBL19372498 0.83 GRPR (0.56) GRPRNMBR
SCHEMBL31060626 0.83 GRPR (0.58) GRPRGLP1RIL23R
SCHEMBL19372502 0.82 GRPR (0.56) GRPRNMBR
SCHEMBL18265511 0.82 GRPR (0.56) GRPRNMBR
SCHEMBL19365164 0.81 GRPR (0.55) GRPRNMBR
SCHEMBL19102245 0.80 BECN1 (0.35) 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
US-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 — — US disclosed
Send feedback