SCHEMBL8722104

SCHEMBL8722104

CCCCCOc1ccccc1C(=O)Nc1ccc2scc(C3CCC4CCCCN4CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.38
HCN1 O60741 3/20 0.38
HCN4 Q9Y3Q4 3/20 0.38
CNR1 P21554 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL30909087 1.00 HCRTR1 (0.39) HCRTR1KMT2AHCN1HCN4CNR1
SCHEMBL8720655 0.95 PNLIP (0.41) HCRTR1HCN1HCN4DRD2SLC6A4
SCHEMBL30909140 0.95 PNLIP (0.41) HCRTR1HCN1HCN4DRD2SLC6A4
SCHEMBL8722156 0.86 DRD2 (0.38) DRD2SLC6A4OPRK1HRH3
SCHEMBL30909070 0.85 TDP1 (0.38) KMT2AHTR1AOPRK1HRH3
SCHEMBL8721187 0.85 TDP1 (0.38) KMT2AHTR1AOPRK1HRH3
SCHEMBL30908934 0.83 ALDH1A1 (0.44) HCRTR1KMT2AAVPR1A
SCHEMBL8723596 0.83 ALDH1A1 (0.44) HCRTR1KMT2AAVPR1A
SCHEMBL30909135 0.81 HCRTR1 (0.39) HCRTR1KMT2AHCN1HCN4CNR1
SCHEMBL8721780 0.81 HCRTR1 (0.39) HCRTR1KMT2AHCN1HCN4CNR1

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