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SCHEMBL29732401

SCHEMBL29732401

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ NPBWR1 P48145 10/20 0.58
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57

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
SCHEMBL29854419 0.93 CRHR1 (0.64) TFPICRHR1CRHR2
SCHEMBL29732488 0.92 NPBWR1 (0.55) TFPINPBWR1CRHR1CRHR2
SCHEMBL29582948 0.90 CRHR1 (0.68) TFPICRHR1CRHR2
SCHEMBL30903291 0.87 TFPI (0.63) TFPICRHR1CRHR2
SCHEMBL30083769 0.87 TFPI (0.63) TFPICRHR1CRHR2
SCHEMBL30589713 0.86 CRHR1 (0.59) TFPICRHR1CRHR2
SCHEMBL29599201 0.85 NPBWR1 (0.56) NPBWR1CRHR1CRHR2
SCHEMBL29402789 0.85 OPRK1 (0.63) NPBWR1CRHR1CRHR2
SCHEMBL29483943 0.85 OPRL1 (0.65) TFPINPBWR1
SCHEMBL31182918 0.85 TFPI (0.64) TFPICRHR1CRHR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12049486-B2 PAC1 receptor agonists (MAXCAPs) and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-30 — — US disclosed
EP-3565573-B1 PAC1 RECEPTOR AGONISTS (MAXCAPS) AND USES THEREOF UNIV CALIFORNIA (US) 2023-08-23 — — EP disclosed
US-20220251162-A1 PAC1 RECEPTOR AGONISTS (MAXCAPS) AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-11 — — US disclosed
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