SCHEMBL29683525

SCHEMBL29683525

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.56
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ PRMT1 Q99873 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ECE1 P42892 7/20 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
SCHEMBL31127539 0.90 PRMT1 (0.55) ACEOPRM1OPRD1PRMT1ECE1
SCHEMBL30502979 0.89 OPRM1 (0.61) ACEOPRM1OPRD1ECE1
SCHEMBL9753233 0.88 PRMT1 (0.56) ACEOPRM1OPRD1PRMT1KDM4E
SCHEMBL9753236 0.88 PRMT1 (0.56) ACEOPRM1OPRD1PRMT1KDM4E
SCHEMBL30255956 0.88 ACE (0.58) ACEOPRM1OPRD1PRMT1KDM4E
SCHEMBL30465846 0.88 ACE (0.62) ACEKDM4EMEN1LMNAMPO
SCHEMBL30502988 0.88 OPRM1 (0.64) ACEOPRM1OPRD1ECE1
SCHEMBL30052764 0.88 KDM4E (0.62) ACEOPRM1OPRD1KDM4EMEN1
SCHEMBL31256945 0.86 OPRD1 (0.71) OPRM1OPRD1
SCHEMBL30605164 0.86 ACE (0.59) ACEOPRM1OPRD1KDM4EMEN1

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-3996815-A2 HIV BINDING AGENTS LAUSANNE UNIVERSITY HOSPITAL (CH) 2022-05-18 — — EP disclosed
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