SCHEMBL30508342

SCHEMBL30508342

CC(C)(C)OC(=O)N1CCN(C2CCc3cc(Br)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
MTNR1B P49286 7/20 0.45
USP30 Q70CQ3 2/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
MTNR1A P48039 4/20 0.43
FAAH O00519 1/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL2571557 1.00 FNTA (0.49) FNTAFNTBMTNR1BUSP30ABL1
SCHEMBL19630431 0.88 FNTA (0.45) FNTAFNTBUSP30FAAHBACE1
SCHEMBL2438383 0.87 GHSR (0.46) FNTAFNTB
SCHEMBL2438384 0.87 GHSR (0.46) FNTAFNTB
SCHEMBL13158177 0.86 FNTA (0.58) FNTAFNTBMTNR1B
SCHEMBL12343761 0.86 CCR5 (0.51) FNTAFNTBUSP30BACE1
SCHEMBL12340714 0.86 CCR5 (0.51) FNTAFNTBUSP30BACE1
SCHEMBL2571658 0.85 ABL1 (0.49) FNTAFNTBMTNR1BUSP30ABL1
SCHEMBL6421245 0.83 NAMPT (0.49) FNTAFNTBMTNR1BMTNR1AGPR119
SCHEMBL25704876 0.83 CRBN (0.43) FNTAFNTBUSP30FAAHNPC1

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
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed