SCHEMBL29205204

SCHEMBL29205204

N#CC(=C1CCN(C(=O)N2CCC(O)CC2)CC1)c1ccc(SCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
PROKR1 Q8TCW9 4/20 0.34
GRM3 Q14832 1/20 0.33
HTT P42858 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM1A O60341 1/20 0.31
MGLL Q99685 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL29205126 0.88 ALOX5 (0.36) PROKR1
SCHEMBL27166033 0.87 PROKR1 (0.44) PROKR1MGLL
SCHEMBL29205146 0.87 KDM1A (0.34) PROKR1KDM1A
SCHEMBL29205170 0.86 PROKR1 (0.35) PROKR1
SCHEMBL27166076 0.84 HSD11B1 (0.43) GRM5MGLL
SCHEMBL29205180 0.84 PROKR1 (0.34) PROKR1
SCHEMBL29205160 0.84 PROKR1 (0.34) PROKR1
SCHEMBL29205171 0.81 F2R (0.45) KDM1AMGLL
SCHEMBL29205143 0.81 HSD11B1 (0.40) MGLL
SCHEMBL30055083 0.79 HSD11B1 (0.44) GRM5GRM3HSP90AA1HSP90AB1KDM1A

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