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SCHEMBL29828490

SCHEMBL29828490

CCC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)O)C(C)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ CALCR P30988 5/20 0.55
▸ CRHR1 P34998 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ RAMP1 O60894 1/20 0.55
▸ RAMP2 O60895 1/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCRL Q16602 1/20 0.55
▸ APLNR P35414 1/20 0.53
▸ NPY2R P49146 7/20 0.52
▸ NPY4R P50391 7/20 0.52
▸ NPY5R Q15761 7/20 0.52
▸ NPY1R P25929 5/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52

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
SCHEMBL30950135 0.90 CALCR (0.57) C5AR1CALCRCRHR1CRHR2RAMP1
SCHEMBL29546394 0.89 CALCR (0.56) C5AR1CALCRCRHR1CRHR2RAMP1
SCHEMBL30422676 0.88 CALCR (0.60) C5AR1CALCRCRHR1CRHR2RAMP1
SCHEMBL30974380 0.87 C5AR1 (0.62) C5AR1CALCRAPLNR
SCHEMBL118957 0.86 MAPK8 (0.60) CALCRRAMP1RAMP2RAMP3CALCRL
SCHEMBL29949425 0.86 CALCR (0.67) CALCRCRHR1CRHR2RAMP1RAMP2
SCHEMBL29972922 0.86 MAPK8 (0.53) C5AR1CALCRCRHR1CRHR2RAMP1
SCHEMBL30432919 0.86 CALCR (0.64) C5AR1CALCRCRHR1CRHR2APLNR
SCHEMBL31574325 0.85 C5AR1 (0.68) C5AR1CALCRAPLNR
SCHEMBL30567754 0.85 C5AR1 (0.65) C5AR1CALCRCRHR1CRHR2RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421293-B2 Major histocompatibility complex-based chimeric receptors and uses thereof for treating autoimmune diseases JURA BIO, INC. (US) 2025-09-23 — — US disclosed
US-20240165158-A1 MAJOR HISTOCOMPATIBILITY COMPLEX-BASED CHIMERIC RECEPTORS AND USES THEREOF FOR TREATING AUTOIMMUNE DISEASES JURA BIO, INC. (US) 2024-05-23 — — US disclosed
US-11826385-B2 Major histocompatibility complex-based chimeric receptors and uses thereof for treating autoimmune diseases JURA BIO, INC. (US) 2023-11-28 — — US disclosed
US-20220177542-A1 MHC CLASS II MOLECULE-BASED PEPTIDE EXCHANGE SYSTEM AND METHOD MEDICAL & BIOLOGICAL LABORATORIES CO., LTD (JP) 2022-06-09 — — US disclosed
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