SCHEMBL30909191

SCHEMBL30909191

CCCCCCOc1cccc(C(=O)Nc2ccc3[nH]cc(C4=CCN(C(C)CC)CC4)c3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
SMPD1 P17405 3/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL7490577 1.00 NR1H4 (0.47) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7485012 0.90 NOS3 (0.48) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7488215 0.88 NOS3 (0.50) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL30908811 0.88 NOS3 (0.50) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL30908773 0.88 NR1H4 (0.48) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7483920 0.88 NR1H4 (0.48) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7478489 0.87 NOS3 (0.51) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7477471 0.87 NOS3 (0.46) NR1H4NOS3NOS1MAPTHTR1A
SCHEMBL7485020 0.85 NOS3 (0.50) NR1H4NOS3NOS1MAPTTSHR
SCHEMBL7483337 0.85 NOS3 (0.62) NOS3NOS1MAPTHTR1ADRD2

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