SCHEMBL29697219

SCHEMBL29697219

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.55
▸ RAMP1 O60894 1/20 0.51
▸ CALCR P30988 4/20 0.49
▸ F2 P00734 4/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 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
SCHEMBL29743008 0.91 CTSL (0.56) CALCRCTSLCTSHCTSSCTSK
SCHEMBL30974474 0.87 CALCRL (0.59) CALCRLRAMP1CALCRF2SLC6A2
SCHEMBL29697211 0.87 CALCRL (0.45) CALCRLRAMP1CALCRHCRTR1HCRTR2
SCHEMBL30974445 0.83 CALCRL (0.55) CALCRLCALCRKEAP1CTSLCTSH
SCHEMBL30974096 0.83 CALCR (0.62) CALCRF2HCRTR1HCRTR2
SCHEMBL31621410 0.83 CALCRL (0.53) CALCRLRAMP1CALCRF2SLC6A2
SCHEMBL31607154 0.83 AGTR2 (0.54) CALCRF2
SCHEMBL30974054 0.83 CALCRL (0.56) CALCRLCALCRKEAP1CTSLCTSH
SCHEMBL30266728 0.82 F2 (0.60) CALCRF2KEAP1
SCHEMBL30974240 0.82 F2 (0.58) CALCRF2HCRTR1HCRTR2CTSL

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
EP-4267551-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio Inc. (US) 2023-11-01 — — EP disclosed
WO-2022140493-A1 METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY Oakbio, Inc. (US) 2022-06-30 — — WO disclosed
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