SCHEMBL6959010

SCHEMBL6959010

CN(C)C1CCc2[nH]c3ccc(C(=O)Nc4cnoc4)cc3c2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.65
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTR1B P28222 3/20 0.46
HTR1A P08908 2/20 0.46
HTR1D P28221 1/20 0.46
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPKAPK2 P49137 3/20 0.40

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
Hydrochloric Acid SCHEMBL6963197 0.84 HTR1F (0.68) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL6959017 0.84 HTR1A (0.51) HTR1FKMT2AMEN1HTR1BHTR1A
Hydrochloric Acid SCHEMBL6954125 0.83 HTR1F (0.67) HTR1FKMT2AMEN1HTR1BHTR1A
Formic Acid SCHEMBL6962843 0.83 HTR1F (0.67) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL9333438 0.82 HTR1F (0.68) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL6957657 0.81 HTR1F (0.67) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7657208 0.81 HTR1F (0.72) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL6952620 0.80 HTR1F (0.66) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7665351 0.80 HTR1F (0.83) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7658586 0.80 HTR1F (0.83) HTR1FKMT2AMEN1HTR1BHTR1A

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 4 patents. 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
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 US disclosed
EP-0882726-A1 Carbazol-carboxamides as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed