SCHEMBL7008664

SCHEMBL7008664

CCCCNc1ccc2[nH]cc(C3CCN(Cc4ccccc4)CC3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 19/20 0.52
HTR1D P28221 11/20 0.51
HTR1B P28222 10/20 0.51
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
HTR1A P08908 8/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR6 P50406 1/20 0.48
HTR4 Q13639 1/20 0.48

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 0.82 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7008182 0.82 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909165 0.81 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013343 0.81 HTR1F (0.62) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909044 0.81 HTR1F (0.66) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012776 0.78 OPRM1 (0.58) HTR1FHTR1DHTR1BOPRM1OPRK1
SCHEMBL30908848 0.78 OPRM1 (0.58) HTR1FHTR1DHTR1BOPRM1OPRK1
SCHEMBL7010188 0.78 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012228 0.77 HTR1F (0.55) HTR1FOPRM1OPRK1HTR1AHTR2A
SCHEMBL7004931 0.74 HTR1F (0.71) 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 3 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