SCHEMBL30909129

SCHEMBL30909129

CC(C)CN1CC=C(c2c[nH]c3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48
DRD2 P14416 7/20 0.48
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
MAPT P10636 1/20 0.45

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
SCHEMBL7489098 1.00 HTR1A (0.48) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL7483212 0.86 NOS3 (0.62) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL7488364 0.83 HTR1F (0.58) HTR1ADRD2NOS3NOS1
SCHEMBL7484391 0.81 NOS3 (0.49) HTR1ADRD2NOS3NOS1
SCHEMBL30908871 0.81 KDM4E (0.52) HTR1ADRD2
SCHEMBL7489869 0.81 KDM4E (0.52) HTR1ADRD2
SCHEMBL7480204 0.81 HTR1A (0.49) HTR1ADRD2NOS3NOS1MAPT
SCHEMBL7479518 0.80 NOS3 (0.49) HTR1ADRD2NOS3NOS1
SCHEMBL7490018 0.80 NOS3 (0.49) HTR1ADRD2NOS3NOS1
SCHEMBL7482253 0.80 NOS3 (0.47) HTR1ADRD2NOS3NOS1

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