SCHEMBL30909100

SCHEMBL30909100

CCCC(=O)c1cccc(C(=O)Nc2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.65
NOS1 P29475 2/20 0.65
SLC6A4 P31645 4/20 0.52
MAPT P10636 1/20 0.50

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
SCHEMBL7489873 1.00 NOS3 (0.65) NOS3NOS1SLC6A4MAPT
SCHEMBL7484094 0.87 NOS3 (0.83) NOS3NOS1SLC6A4
SCHEMBL7478536 0.82 NOS3 (0.55) NOS3NOS1SLC6A4MAPT
SCHEMBL30908826 0.82 NOS3 (0.55) NOS3NOS1SLC6A4MAPT
SCHEMBL7480641 0.82 NOS3 (0.69) NOS3NOS1SLC6A4
SCHEMBL7478687 0.82 NOS3 (0.69) NOS3NOS1SLC6A4
SCHEMBL7484351 0.82 NOS3 (0.53) NOS3NOS1SLC6A4
SCHEMBL30909291 0.82 NOS3 (0.53) NOS3NOS1SLC6A4
SCHEMBL7489445 0.81 NOS3 (0.66) NOS3NOS1MAPT
SCHEMBL7478565 0.81 NOS3 (0.55) NOS3NOS1MAPT

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