SCHEMBL30908873

SCHEMBL30908873

CCCc1ccc(C(=O)c2ccc3scc(C4=CCN5CCCCC5CC4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
KDM2B Q8NHM5 2/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
BDKRB1 P46663 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL30909167 0.87 HRH3 (0.38) HRH3OPRM1OPRK1L3MBTL1
SCHEMBL8720752 0.83 MEN1 (0.38) HRH3L3MBTL1
SCHEMBL8724259 0.83 HRH3 (0.39) HRH3OPRM1OPRK1L3MBTL3L3MBTL1
SCHEMBL35210767 0.83 TDP1 (0.41) HRH3OPRM1OPRK1KDM2BHTR1D
SCHEMBL8724062 0.83 HRH3 (0.40) HRH3OPRM1OPRK1KDM2BHTR1D
SCHEMBL8721871 0.82 HRH3 (0.40) HRH3OPRM1OPRK1KDM2BCNR1
Sebacic Acid SCHEMBL8721076 0.82 HRH3 (0.38) HRH3OPRM1OPRK1KDM2B
SCHEMBL8720766 0.81 HRH3 (0.38) HRH3CNR2
SCHEMBL8724068 0.79 KDM4E (0.43)
SCHEMBL8721851 0.77 TDP1 (0.38) L3MBTL3L3MBTL1

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