SCHEMBL29205181

SCHEMBL29205181

N#CC(=C1CCN(C(=O)N2CCc3sccc3C2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 4/20 0.42
AKR1C3 P42330 3/20 0.41
HSP90AA1 P07900 3/20 0.39
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2B6 P20813 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL27166148 0.89 HSP90AA1 (0.39) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL29205179 0.89 HSP90AA1 (0.37) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL29205149 0.86 HSP90AA1 (0.39) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL30055616 0.86 HSP90AA1 (0.39) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL30055918 0.85 HSP90AA1 (0.36) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL27166098 0.85 HSP90AA1 (0.36) PROKR1AKR1C3HSP90AA1PRMT5WDR77
SCHEMBL27166122 0.84 HSP90AA1 (0.41) AKR1C3HSP90AA1PRMT5WDR77SLC6A4
SCHEMBL27166096 0.84 PROKR1 (0.47) PROKR1HSP90AA1PRMT5WDR77NPC1
SCHEMBL27166198 0.83 HSP90AA1 (0.38) AKR1C3HSP90AA1PRMT5WDR77POLB
SCHEMBL27166104 0.80 ALDH1A1 (0.50) PROKR1AKR1C3POLBNPC1ALDH1A1

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
EP-4334289-B1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF Organon R&D Finland Oy (FI) 2025-06-25 EP disclosed
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