SCHEMBL30508320

SCHEMBL30508320

CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(Br)ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.49
GPR119 Q8TDV5 2/20 0.41
ESR2 Q92731 1/20 0.40
ALK Q9UM73 1/20 0.40
NR1H2 P55055 1/20 0.40
IDO1 P14902 1/20 0.39
BACE1 P56817 2/20 0.39
RORC P51449 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL17586450 0.92 AVPR1A (0.49) AVPR1AGPR119ESR2ALKNR1H2
SCHEMBL29716173 0.88 RORC (0.40) AVPR1AESR2NR1H2BACE1RORC
SCHEMBL12097232 0.88 RORC (0.40) AVPR1AESR2NR1H2BACE1RORC
SCHEMBL2159558 0.86 AVPR1A (0.49) AVPR1AESR2
SCHEMBL30743086 0.86 NR1H2 (0.56) AVPR1AGPR119ESR2NR1H2USP2
SCHEMBL12701623 0.81 AVPR1A (0.50) AVPR1AGPR119ESR2NR1H2USP2
SCHEMBL30623466 0.81 AVPR1A (0.50) AVPR1AGPR119ESR2NR1H2USP2
SCHEMBL20502778 0.80 RORC (0.41) AVPR1AESR2NR1H2BACE1RORC
SCHEMBL12748317 0.80 FAAH (0.47) AVPR1AGPR119ESR2ALKNR1H2
SCHEMBL5917686 0.80 FAAH (0.56) GPR119ALKIDO1BACE1SMN1; SMN2

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
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed