SCHEMBL30765337

SCHEMBL30765337

C[C@@H]1CN(C(=O)c2ccc(-c3cc4ncnc(Cl)c4o3)cc2)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
HSD11B1 P28845 4/20 0.41
TSHR P16473 1/20 0.40
SLC6A7 Q99884 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL30765147 0.86 NPC1 (0.51) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL31565117 0.81 PHGDH (0.51) NPC1HPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL27267083 0.80 NPC1 (0.42) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672625 0.80 NPC1 (0.42) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL27262760 0.80 NPC1 (0.42) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672657 0.80 NPC1 (0.42) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672563 0.80 NPC1 (0.42) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672579 0.77 HSD17B10 (0.39) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672542 0.77 HSD17B10 (0.39) NPC1ALDH1A1HPGDHSD17B10NPSR1
SCHEMBL32672644 0.77 HSD17B10 (0.39) NPC1ALDH1A1HPGDHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568970-A1 FURO PYRIMIDINE DERIVATES Merck Patent GmbH (DE) 2025-06-18 EP disclosed
CN-119948032-A Furanopyrimidine derivatives 默克专利股份有限公司 2025-05-06 CN disclosed
WO-2024033281-A1 FURO PYRIMIDINE DERIVATES MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed
WO-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed