SCHEMBL29679930

SCHEMBL29679930

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.50
▸ CALCR P30988 4/20 0.50
▸ C5AR1 P21730 2/20 0.49
▸ MC4R P32245 1/20 0.49
▸ NMBR P28336 1/20 0.47
▸ GRPR P30550 1/20 0.47
▸ CRHR1 P34998 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CXCR4 P61073 2/20 0.47
▸ APLNR P35414 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46

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
SCHEMBL29679690 0.92 CALCR (0.55) F2CALCRC5AR1MC4RCRHR1
SCHEMBL29679714 0.91 CALCR (0.56) F2CALCRC5AR1MC4RCRHR1
SCHEMBL29679881 0.91 CALCR (0.56) F2CALCRC5AR1MC4RCRHR1
SCHEMBL29865880 0.88 CALCR (0.57) F2CALCRC5AR1MC4RNMBR
SCHEMBL30422242 0.86 CALCR (0.56) F2CALCRNMBRGRPRCRHR1
SCHEMBL29898879 0.84 C5AR1 (0.53) F2CALCRC5AR1
SCHEMBL31511427 0.84 C5AR1 (0.57) CALCRC5AR1MC4R
SCHEMBL31318919 0.84 CALCRL (0.46) F2CALCR
SCHEMBL30658564 0.84 F2 (0.58) F2CALCRC5AR1NMBRGRPR
SCHEMBL29521043 0.83 F2 (0.54) F2CALCRAPLNR

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO claimed
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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