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SCHEMBL30449199

SCHEMBL30449199

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 3/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.55
▸ BACE1 P56817 1/20 0.54
▸ TFPI P10646 1/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ MUS81 Q96NY9 1/20 0.53

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
SCHEMBL6461324 0.96 TFPI (0.59) PTH1RTFPIECE1GLP1RMUS81
SCHEMBL29922901 0.96 TFPI (0.59) PTH1RTFPIECE1GLP1RMUS81
SCHEMBL30367254 0.94 TFPI (0.59) PTH1RTFPIGLP1R
SCHEMBL29353526 0.94 TFPI (0.59) PTH1RTFPIGLP1R
SCHEMBL29746858 0.92 PTH1R (0.60) PTH1RTFPIGLP1R
SCHEMBL29862843 0.91 PTH1R (0.57) PTH1RRXFP1BACE1
SCHEMBL6437697 0.89 TFPI (0.63) TFPIECE1GLP1RMUS81
SCHEMBL6437703 0.89 TFPI (0.63) TFPIECE1GLP1RMUS81
SCHEMBL31332065 0.89 PTH1R (0.60) PTH1RRXFP1
SCHEMBL29863200 0.88 PTH1R (0.61) PTH1RRXFP1BACE1TFPI

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-2023099725-A1 PHARMACEUTICAL PREPARATION CONTAINING A MIXTURE OF A NATRIURETIC PEPTIDE (ANP) AND A PEPTIDIC INHIBITOR OF THE CXCR4 RECEPTOR PHARIS BIOTEC GMBH (DE) 2023-06-08 — — WO disclosed
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