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SCHEMBL30367254

SCHEMBL30367254

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](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)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)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.59
▸ PTH1R Q03431 1/20 0.58
▸ VIPR1 P32241 2/20 0.57
▸ VIPR2 P41587 1/20 0.56
▸ CALCR P30988 3/20 0.56
▸ CCKBR P32239 1/20 0.56
▸ GLP1R P43220 1/20 0.56

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
SCHEMBL29353526 1.00 TFPI (0.59) TFPIPTH1RVIPR1VIPR2CALCR
SCHEMBL6461324 0.98 TFPI (0.59) TFPIPTH1RVIPR1VIPR2CALCR
SCHEMBL29922901 0.98 TFPI (0.59) TFPIPTH1RVIPR1VIPR2CALCR
SCHEMBL29746858 0.98 PTH1R (0.60) TFPIPTH1RVIPR1VIPR2CCKBR
SCHEMBL30449199 0.94 PTH1R (0.57) TFPIPTH1RGLP1R
SCHEMBL6437703 0.92 TFPI (0.63) TFPIVIPR1VIPR2GLP1R
SCHEMBL6437697 0.92 TFPI (0.63) TFPIVIPR1VIPR2GLP1R
SCHEMBL29494169 0.91 KISS1R (0.60) TFPIPTH1RVIPR1VIPR2GLP1R
SCHEMBL29746772 0.90 KISS1R (0.60) TFPIVIPR1VIPR2
SCHEMBL30862330 0.89 GLP1R (0.62) TFPIVIPR1VIPR2GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111265653-B Application of atrial natriuretic peptide in preparation of medicines for treating inflammatory bowel disease 华中科技大学同济医学院附属协和医院 2023-05-09 — — CN claimed
CN-111265653-B Application of atrial natriuretic peptide in preparation of medicines for treating inflammatory bowel disease 华中科技大学同济医学院附属协和医院 2023-05-09 — — CN disclosed
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