SCHEMBL7005987

SCHEMBL7005987

CCCCCN1CCC(c2c[nH]c3ccc(OCC)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 15/20 0.57
HTR1D P28221 9/20 0.57
HTR1B P28222 7/20 0.57
HTR1A P08908 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR1E P28566 1/20 0.45
HTR6 P50406 1/20 0.45
HTR4 Q13639 1/20 0.45
ADRA1D P25100 2/20 0.43
SLC6A4 P31645 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
SCHEMBL30908780 1.00 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011040 0.89 HTR1F (0.57) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7010396 0.83 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909021 0.83 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015495 0.80 HTR1F (0.72) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909195 0.79 HTR1F (0.55) HTR1FHTR1DHTR1BADRA1DSLC6A4
SCHEMBL7009821 0.75 HTR1F (0.75) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30908801 0.74 KDM4E (0.52) HTR1FHTR1AHTR2AHTR2CHTR6
SCHEMBL8819815 0.74 SLC6A4 (0.56) HTR1AHTR2AHTR6ADRA1DSLC6A4
SCHEMBL7013589 0.73 HTR1F (0.80) 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