SCHEMBL29794002

SCHEMBL29794002

C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)CCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CXCR4 P61073 1/20 0.52
▸ CXCL8 P10145 7/20 0.50
▸ TACR2 P21452 5/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ GHSR Q92847 1/20 0.47

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
SCHEMBL29794057 0.98 CAPN1 (0.54) CAPN1CTSBCXCR4CXCL8TACR2
SCHEMBL29794102 0.97 CAPN1 (0.56) CAPN1CTSBCXCR4CXCL8TACR2
SCHEMBL29794085 0.97 CAPN1 (0.56) CAPN1CTSBCXCR4CXCL8TACR2
SCHEMBL29794046 0.94 CAPN1 (0.54) CAPN1CTSBCXCR4CXCL8TACR2
SCHEMBL30232004 0.86 DPP3 (0.52) CAPN1CTSB
SCHEMBL31127571 0.83 GHSR (0.54) CXCR4NTSR2NTSR1SORT1TACR1
SCHEMBL31127559 0.83 GHSR (0.60) CXCR4NTSR2NTSR1SORT1TACR1
SCHEMBL29498130 0.82 NTSR2 (0.57) NTSR2NTSR1SORT1TACR1GHSR
SCHEMBL29794045 0.81 CAPN1 (0.44) CAPN1CTSB
SCHEMBL34461871 0.81 CAPN1 (0.55) CAPN1CTSBCXCR4TACR2NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240100121-A1 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF SPEXIS AG (CH) 2024-03-28 — — US disclosed
EP-4247338-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF Spexis AG (CH) 2023-09-27 — — EP disclosed
EP-4247338-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF Spexis AG (CH) 2023-09-27 — — EP disclosed
WO-2022106063-A8 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF SPEXIS AG (CH) 2023-06-01 — — WO disclosed
WO-2022106063-A3 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF POLYPHOR AG (CH) 2022-08-18 — — WO disclosed
WO-2022106063-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF POLYPHOR AG (CH) 2022-05-27 — — WO disclosed
WO-2022106063-A2 COMPOSITIONS OF A BETA-HAIRPIN PEPTIDOMIMETIC AND AEROSOL DOSAGE FORMS THEREOF POLYPHOR AG (CH) 2022-05-27 — — WO disclosed
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