SCHEMBL30908795

SCHEMBL30908795

CCc1ccccc1C(=O)Nc1ccc2occ(C3CCN4CCCC4C3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 11/20 0.38
HTR2A P28223 10/20 0.38
DRD3 P35462 10/20 0.38
MAOB P27338 2/20 0.38
SLC6A4 P31645 1/20 0.36
MAPT P10636 2/20 0.36
ACKR3 P25106 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8385667 1.00 F2R (0.40) F2RHRH3DRD2HTR2ADRD3
SCHEMBL30909176 0.93 DRD2 (0.38) F2RHRH3DRD2HTR2ADRD3
SCHEMBL8383620 0.93 DRD2 (0.38) F2RHRH3DRD2HTR2ADRD3
SCHEMBL30909206 0.92 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL8386459 0.92 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL8382998 0.88 RAB9A (0.43) DRD2HTR2ADRD3MAPTNPC1
SCHEMBL30909023 0.88 RAB9A (0.43) DRD2HTR2ADRD3MAPTNPC1
SCHEMBL8382621 0.86 HTR2A (0.41) HRH3DRD2HTR2ADRD3KMT2A
SCHEMBL8385565 0.86 HTR2A (0.44) HRH3DRD2HTR2ADRD3MAPT
SCHEMBL30908902 0.86 HTR2A (0.44) HRH3DRD2HTR2ADRD3MAPT

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