SCHEMBL29442104

SCHEMBL29442104

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KEAP1 Q14145 2/20 0.46
▸ VIPR2 P41587 6/20 0.46
▸ PTH1R Q03431 4/20 0.45
▸ VIPR1 P32241 4/20 0.44
▸ GLP1R P43220 2/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ MUS81 Q96NY9 1/20 0.44
▸ TFPI P10646 1/20 0.43
▸ RXFP4 Q8TDU9 1/20 0.43
▸ RXFP3 Q9NSD7 1/20 0.43
▸ KRAS P01116 1/20 0.43

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
SCHEMBL31514353 0.92 RXFP1 (0.46) RXFP1VIPR2PTH1RVIPR1GLP1R
SCHEMBL31670624 0.89 TFPI (0.49) RXFP1KEAP1PTH1RTFPI
SCHEMBL30905700 0.89 RXFP1 (0.45) RXFP1KEAP1TFPI
SCHEMBL31670607 0.88 TFPI (0.49) RXFP1KEAP1VIPR2PTH1RTFPI
SCHEMBL26886898 0.88 NPY4R (0.46) KEAP1
SCHEMBL29531521 0.86 TFPI (0.45) RXFP1KEAP1TFPI
SCHEMBL29677427 0.86 RXFP1 (0.53) RXFP1VIPR2PTH1RVIPR1TFPI
SCHEMBL30905698 0.86 NPY4R (0.47) KEAP1TFPI
SCHEMBL29470910 0.86 RXFP1 (0.56) RXFP1VIPR2VIPR1TFPI
SCHEMBL29624007 0.85 VIPR2 (0.52) RXFP1KEAP1VIPR2PTH1RVIPR1

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-20220096656-A1 NANOCARRIERS HAVING SURFACE CONJUGATED PEPTIDES AND USES THEREOF FOR SUSTAINED LOCAL RELEASE OF DRUGS NORTHWESTERN UNIVERSITY 2022-03-31 — — US disclosed
Send feedback