SCHEMBL29205160

SCHEMBL29205160

CCOC1CCN(C(=O)N2CCC(=C(C#N)c3ccc(SCl)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
GPR119 Q8TDV5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK1 P23458 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
ADRB2 P07550 1/20 0.31
SPR P35270 1/20 0.31
VNN1 O95497 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL29205146 0.89 KDM1A (0.34) PROKR1
SCHEMBL29205135 0.87 LSS (0.40) ALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL29205204 0.84 GRM5 (0.36) PROKR1
SCHEMBL29205168 0.84 MCHR1 (0.40) ALDH1A1TP53ADRB2
SCHEMBL29205180 0.84 PROKR1 (0.34) PROKR1GPR119MEN1KMT2A
SCHEMBL29205126 0.83 ALOX5 (0.36) PROKR1
SCHEMBL30055420 0.81 MGLL (0.40) MEN1KMT2A
SCHEMBL29205190 0.81 MGLL (0.40) MEN1KMT2A
SCHEMBL29205161 0.81 PROKR1 (0.42) PROKR1ALDH1A1TP53SMN1; SMN2
SCHEMBL29205170 0.80 PROKR1 (0.35) PROKR1

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