SCHEMBL31066631

SCHEMBL31066631

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 1/20 0.47
▸ KDM1A O60341 3/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ CTSD P07339 2/20 0.42
▸ GRPR P30550 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ CRHR1 P34998 1/20 0.40
▸ GHSR Q92847 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ TFPI P10646 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.37

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
SCHEMBL30601031 0.93 CALCRL (0.50) CALCRLKDM1ABACE1CTSDGRPR
SCHEMBL31475694 0.90 CALCRL (0.46) CALCRLKDM1ABACE1CTSDGRPR
SCHEMBL29568733 0.84 BACE1 (0.48) CALCRLKDM1ABACE1CTSDMAOB
SCHEMBL30363512 0.84 FOLH1 (0.42) CALCRLGHSR
SCHEMBL30311313 0.84 KEAP1 (0.47) CALCRLKDM1ABACE1CTSDGRPR
SCHEMBL30844409 0.83 KDM1A (0.47) CALCRLKDM1ABACE1CTSDMAOB
SCHEMBL30844341 0.83 CALCRL (0.42) CALCRLKDM1ABACE1CTSDGHSR
SCHEMBL30311449 0.83 BACE1 (0.47) CALCRLKDM1ABACE1CTSDMAOB
SCHEMBL11576611 0.83 CPB2 (0.41) CALCRLKDM1ABACE1CTSDGHSR
SCHEMBL11576618 0.83 CPB2 (0.41) CALCRLKDM1ABACE1CTSDGHSR

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
US-20250129126-A1 LONG-LASTING HEPATITIS VIRUS ENTRY INHIBITOR Chengdu AODA Biotechnology Co., Ltd (CN) 2025-04-24 — — US disclosed
CN-118574640-A Medicine and method for treating limited chronic hepatitis B by nucleoside (nucleotide) medicines 上海贺普药业股份有限公司 2024-08-30 — — CN disclosed
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