SCHEMBL16716014

SCHEMBL16716014

CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 12/20 0.57
▸ REN P00797 6/20 0.54
▸ NMBR P28336 2/20 0.48

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
SCHEMBL29473455 0.94 GRPR (0.57) GRPRREN
SCHEMBL12767725 0.94 GRPR (0.58) GRPRRENNMBR
SCHEMBL31494985 0.91 REN (0.53) GRPRREN
SCHEMBL30118088 0.91 GRPR (0.62) GRPRRENNMBR
SCHEMBL30398505 0.90 GRPR (0.64) GRPRNMBR
SCHEMBL29473430 0.90 REN (0.55) GRPRREN
SCHEMBL24253291 0.88 GRPR (0.69) GRPRNMBR
SCHEMBL24253292 0.88 GRPR (0.69) GRPRNMBR
SCHEMBL25081963 0.88 GRPR (0.69) GRPRNMBR
SCHEMBL25081959 0.88 GRPR (0.69) GRPRNMBR

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-9035023-B2 Bombesin analog peptide antagonist conjugates Piramal Imaging, SA (CH) 2015-05-19 — — US disclosed
Send feedback