SCHEMBL29413325

SCHEMBL29413325

N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ KISS1R Q969F8 2/20 0.45
▸ GPR132 Q9UNW8 4/20 0.45
▸ CTSC P53634 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ TBXAS1 P24557 2/20 0.43
▸ CMKLR2 P46091 1/20 0.43
▸ CMKLR1 Q99788 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ FDPS P14324 1/20 0.43

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
SCHEMBL29383060 1.00 MME (0.49) MMEKDM4EKISS1RGPR132CTSC
Trifluoroacetic Acid SCHEMBL2367272 0.93 MME (0.46) MMEKDM4EKISS1RGPR132CTSC
SCHEMBL4198783 0.92 GPR132 (0.52) MMEKDM4EGPR132CTSCECE1
SCHEMBL29615239 0.92 GPR132 (0.51) MMEKISS1RGPR132CTSCTBXAS1
SCHEMBL31542110 0.91 BACE1 (0.46) MMEKISS1RGPR132TBXAS1
SCHEMBL30509011 0.89 GPR132 (0.50) MMEKDM4EKISS1RGPR132HDAC8
SCHEMBL30685124 0.89 MME (0.50) MMEKDM4EGPR132CTSCECE1
SCHEMBL29743017 0.89 ECE1 (0.51) MMEKDM4EGPR132CTSCECE1
SCHEMBL29816805 0.88 KISS1R (0.52) MMEKISS1RGPR132
SCHEMBL29375944 0.86 NAALAD2 (0.51) GPR132NAPRTTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120121745-A Method for detecting degarelix acetate impurity 苏州天马医药集团天吉生物制药有限公司 2025-06-10 — — CN claimed
CN-114478708-B Fragment solid-phase synthesis method of ganirelix 南京汉欣医药科技有限公司 2023-06-02 — — CN claimed
CN-109575109-B Method for preparing degarelix by fragment condensation 兰州大学 2022-03-25 — — CN claimed
CN-120121745-A Method for detecting degarelix acetate impurity 苏州天马医药集团天吉生物制药有限公司 2025-06-10 — — CN disclosed
CN-114478708-B Fragment solid-phase synthesis method of ganirelix 南京汉欣医药科技有限公司 2023-06-02 — — CN disclosed
CN-109575109-B Method for preparing degarelix by fragment condensation 兰州大学 2022-03-25 — — CN disclosed
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