SCHEMBL8724313

SCHEMBL8724313

COc1cccc(NC(=S)Nc2ccc3[nH]cc(C4=CCN5CCCCC5CC4)c3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.41
HTR1A P08908 2/20 0.41
MAPT P10636 3/20 0.41
PPARG P37231 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
QPCT Q16769 1/20 0.38
LMNA P02545 1/20 0.37
LIMK1 P53667 2/20 0.37
LIMK2 P53671 2/20 0.37
DRD2 P14416 1/20 0.36
NPC1 O15118 2/20 0.36
CYP2C19 P33261 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL8721916 0.87 NOS3 (0.47) HTR1AMAPTPOLBHTTQPCT
SCHEMBL8722143 0.79 NOS3 (0.47) HTR1AMAPTDRD2SLC6A4
SCHEMBL30908995 0.76 HTR1F (0.54) HTR1FHTR1A
SCHEMBL30909115 0.76 HTR1F (0.54) HTR1FHTR1A
SCHEMBL8724225 0.76 HTR1F (0.54) HTR1FHTR1A
SCHEMBL8382200 0.76 HTR1F (0.43) HTR1FHTR1A
SCHEMBL8725956 0.74 HTR1F (0.54) HTR1FHTR1AMAPTNPC1RAB9A
SCHEMBL8724046 0.73 HTR1F (0.44) HTR1FHTR1A
SCHEMBL8725940 0.73 HTR1F (0.51) HTR1FHTR1A
SCHEMBL30908959 0.73 HTR1F (0.51) HTR1FHTR1A

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