SCHEMBL30909146

SCHEMBL30909146

CN(C)c1ccccc1C(=O)Nc1ccc2scc(C3=CCN4CCCCC4CC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAOB P27338 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
AVPR1B P47901 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL8725934 1.00 OPRM1 (0.36) OPRM1OPRK1HCRTR1MAPTTDP1
SCHEMBL8706037 0.89 ALDH1A1 (0.42) HCRTR1MAPTTDP1TP53ALDH1A1
SCHEMBL8721276 0.88 AVPR1A (0.44) MAPTTP53ALDH1A1KDM4EAVPR2
SCHEMBL8720711 0.87 TP53 (0.44) MAPTTDP1TP53KMT2AMEN1
SCHEMBL8721052 0.85 HRH3 (0.41) MAPTTP53HRH3
SCHEMBL30909156 0.85 HRH3 (0.41) MAPTTP53HRH3
SCHEMBL8725926 0.84 TDP1 (0.41) MAPTTDP1TP53ALDH1A1POLB
SCHEMBL8721911 0.84 KMT2A (0.43) MAPTTDP1TP53ALDH1A1KDM4E
SCHEMBL8724051 0.83 AKR1C3 (0.38) OPRM1OPRK1MAPTHRH3SMN1; SMN2
SCHEMBL8720635 0.83 HRH3 (0.34) MAPTTDP1TP53HRH3

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
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed