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SCHEMBL11324467

SCHEMBL11324467

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)N(C(=O)[C@H](N)Cc1nc2ccccc2[nH]1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.53
▸ MC4R P32245 1/20 0.52
▸ APLNR P35414 3/20 0.50
▸ F2 P00734 3/20 0.48

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
SCHEMBL11101995 0.96 C5AR1 (0.58) C5AR1MC4R
SCHEMBL10784514 0.92 NMUR2 (0.56) C5AR1MC4RAPLNRF2
SCHEMBL11103393 0.92 C5AR1 (0.58) C5AR1MC4R
SCHEMBL11326066 0.90 C5AR1 (0.59) C5AR1MC4RAPLNR
SCHEMBL11099915 0.89 C5AR1 (0.62) C5AR1MC4R
SCHEMBL10779510 0.88 C5AR1 (0.58) C5AR1MC4R
SCHEMBL10778825 0.87 C5AR1 (0.58) C5AR1MC4R
SCHEMBL11101417 0.86 C5AR1 (0.59) C5AR1MC4RAPLNR
SCHEMBL10784237 0.84 C5AR1 (0.59) C5AR1MC4RAPLNR
SCHEMBL11392131 0.84 C5AR1 (0.58) C5AR1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007505-B1 ALPHA-AZOLYL-BETA-HYDROXY-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-09-30 — — EP claimed
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