SCHEMBL29205146

SCHEMBL29205146

COC1CCN(C(=O)N2CCC(=C(C#N)c3ccc(SCl)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
PROKR1 Q8TCW9 5/20 0.34
HPGD P15428 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
RET P07949 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29205160 0.89 PROKR1 (0.34) PROKR1
SCHEMBL27166109 0.88 PROKR1 (0.44) PROKR1
SCHEMBL29205204 0.87 GRM5 (0.36) KDM1APROKR1
SCHEMBL29205180 0.87 PROKR1 (0.34) PROKR1RAB9AEGLN1POLB
SCHEMBL29205126 0.84 ALOX5 (0.36) PROKR1HRH3PRMT5
SCHEMBL29205142 0.83 MCHR1 (0.40) PROKR1HPGD
SCHEMBL29205170 0.82 PROKR1 (0.35) PROKR1
SCHEMBL27204453 0.81 HSD11B1 (0.39) RETLMNA
SCHEMBL27166114 0.81 HSD11B1 (0.39) RETLMNA
SCHEMBL29205175 0.80 MGLL (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed