SCHEMBL8723979

SCHEMBL8723979

O=C(Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1)c1ccc(Br)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HRH3 Q9Y5N1 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1D P28221 3/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
LMNA P02545 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL8723856 0.85 HTR1D (0.50) HRH3HTR1DHTR1AHTR1BHTR1F
SCHEMBL8725928 0.85 RORC (0.47) MAPTHRH3HTR1DHTR1AHTR1B
SCHEMBL8723596 0.84 ALDH1A1 (0.44) MAPTCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL30908934 0.84 ALDH1A1 (0.44) MAPTCYP3A4CYP2D6CYP2C19LMNA
SCHEMBL8724094 0.84 ACKR3 (0.39) HRH3HTR1DHTR1AHTR1BHTR1F
SCHEMBL8720774 0.83 L3MBTL3 (0.43) HRH3HTR1DHTR1AHTR1BHTR1F
SCHEMBL8721836 0.82 TMIGD3 (0.41) HRH3HTR1DHTR1AHTR1BHTR1F
Fumaric Acid SCHEMBL8725912 0.81 HTR1D (0.46) MAPTHRH3HTR1DHTR1AHTR1B
Fumaric Acid SCHEMBL8725918 0.81 HTR1D (0.46) MAPTHRH3HTR1DHTR1AHTR1B
SCHEMBL8720776 0.81 HRH3 (0.47) MAPTHRH3HTR1DHTR1AHTR1B

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 2 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-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed