SCHEMBL7012941

SCHEMBL7012941

CN1CCC(c2c[nH]c3ccc(NCCCc4cc[n+]([O-])cc4)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.54
HTR1D P28221 13/20 0.54
HTR1B P28222 12/20 0.54
HTR1A P08908 10/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR1E P28566 1/20 0.54
HTR6 P50406 1/20 0.54
HTR4 Q13639 1/20 0.54

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
SCHEMBL7007720 0.89 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008182 0.86 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7004931 0.79 HTR1F (0.71) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010126 0.79 HTR1F (0.56) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7014159 0.78 HTR1F (0.45) HTR1FHTR1AHTR6
SCHEMBL7010188 0.76 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010143 0.76 HTR1F (0.64) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909044 0.74 HTR1F (0.66) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011526 0.73 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015666 0.72 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A

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-0916670-B1 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-0916670-A2 Pyrrolo-(3,2-b) pyridines and their use as 5-HT1F agonists ELI LILLY AND COMPANY (US) 1999-05-19 EP disclosed
US-5905084-A 5-SUBSTITUTED-3-(PIPERIDIN-4-YL)- AND -3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)PYRROLO(3,2-B)PYRIDINES; SIDE EFFECT REDUCTION; NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-05-18 US disclosed