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SCHEMBL29783640

SCHEMBL29783640

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.73
▸ RAMP3 O60896 1/20 0.68
▸ TFPI P10646 4/20 0.68
▸ CCKBR P32239 2/20 0.65
▸ GLP1R P43220 2/20 0.65
▸ NPY2R P49146 6/20 0.65
▸ NPY4R P50391 6/20 0.65
▸ NPY5R Q15761 6/20 0.65
▸ NPY1R P25929 4/20 0.65
▸ HCRTR1 O43613 1/20 0.64
▸ HCRTR2 O43614 1/20 0.64

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
SCHEMBL29783624 1.00 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783629 1.00 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783636 1.00 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783631 1.00 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783626 1.00 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783627 0.99 CALCR (0.72) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783634 0.99 CALCR (0.72) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783639 0.99 CALCR (0.72) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783630 0.99 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R
SCHEMBL29783632 0.99 CALCR (0.73) CALCRRAMP3TFPICCKBRGLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103951-B2 Use of CGRP receptor antagonists in neuroprotection and neurological disorders SOARES CHRISTOPHER JOSEPH (US) 2024-10-01 — — US claimed
EP-4316595-A2 USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA Soares, Christopher, J. (US) 2024-02-07 — — EP claimed
EP-3506925-B1 USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA SOARES CHRISTOPHER J (US) 2023-09-06 — — EP claimed
US-20230212248-A1 USE OF CGRP RECEPTOR ANTAGONISTS IN NEUROPROTECTION AND NEUROLOGICAL DISORDERS SOARES CHRISTOPHER JOSEPH (US) 2023-07-06 — — US claimed
US-11390654-B2 Use of CGRP receptor antagonists in neuroprotection and neurological disorders SOARES CHRISTOPHER JOSEPH (US) 2022-07-19 — — US claimed
US-12103951-B2 Use of CGRP receptor antagonists in neuroprotection and neurological disorders SOARES CHRISTOPHER JOSEPH (US) 2024-10-01 — — US disclosed
EP-4316595-A2 USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA Soares, Christopher, J. (US) 2024-02-07 — — EP disclosed
EP-3506925-B1 USE OF CGRP RECEPTOR ANTAGONISTS IN TREATING GLAUCOMA SOARES CHRISTOPHER J (US) 2023-09-06 — — EP disclosed
US-20230212248-A1 USE OF CGRP RECEPTOR ANTAGONISTS IN NEUROPROTECTION AND NEUROLOGICAL DISORDERS SOARES CHRISTOPHER JOSEPH (US) 2023-07-06 — — US disclosed
US-11390654-B2 Use of CGRP receptor antagonists in neuroprotection and neurological disorders SOARES CHRISTOPHER JOSEPH (US) 2022-07-19 — — US disclosed
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