SCHEMBL30765622

SCHEMBL30765622

C[C@@H](Nc1cnc(N2CCCCC2)n(CC(=O)O)c1=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
FFAR1 O14842 1/20 0.35
ELANE P08246 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
NPC1 O15118 1/20 0.34
ALOX5 P09917 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
AKT3 Q9Y243 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PHGDH O43175 1/20 0.33
KCNQ2 O43526 1/20 0.33
ME2 P23368 1/20 0.33

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
SCHEMBL31558496 0.93 IDH1 (0.37) IDH1ELANETRPV1NPC1ALOX5
SCHEMBL30765475 0.89 ALDH1A1 (0.36) IDH1ELANETRPV1TRPM8ALDH1A1
SCHEMBL30765996 0.87 MAPT (0.41) IDH1ELANENPC1ALDH1A1NPSR1
SCHEMBL30766040 0.81 F2 (0.36) IDH1TRPV1
SCHEMBL30766001 0.81 AKT1 (0.36) IDH1ELANENPC1AKT1AKT2
SCHEMBL30765445 0.80 AKT1 (0.37) IDH1ELANEAKT1AKT2AKT3
SCHEMBL30765863 0.75 GAA (0.38) AKT1AKT2AKT3ALDH1A1NPSR1
SCHEMBL31558437 0.75 AKT1 (0.35) IDH1ELANEAKT1AKT2AKT3
SCHEMBL31558527 0.73 AKT1 (0.36) IDH1AKT1AKT2AKT3ALDH1A1
SCHEMBL30765713 0.73 AKT1 (0.36) IDH1AKT1AKT2AKT3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed