SCHEMBL8724231

SCHEMBL8724231

O=C(Nc1ccc2[nH]cc(C3CCC4CCCCN4CC3)c2c1)Nc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.49
HTR1B P28222 11/20 0.49
HTR1A P08908 2/20 0.49
HTR1F P30939 2/20 0.49
CCR2 P41597 1/20 0.46
RORC P51449 1/20 0.46
SLC2A1 P11166 1/20 0.45
HTR6 P50406 1/20 0.44
STING1 Q86WV6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8724037 0.89 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8721060 0.88 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8723889 0.87 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8723870 0.87 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8723990 0.86 HTR1D (0.50) HTR1DHTR1BHTR1AHTR1FRORC
SCHEMBL8721855 0.85 HTR1D (0.49) HTR1DHTR1BHTR1AHTR1F
SCHEMBL5312586 0.85 KDR (0.42) SMN1; SMN2
SCHEMBL8720667 0.85 HTR1D (0.48) HTR1DHTR1BHTR1AHTR1FHTR6
SCHEMBL30909067 0.84 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FSLC2A1
SCHEMBL8713578 0.82 SLC6A4 (0.52) HTR1DHTR1BHTR1AHTR1FRORC

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