SCHEMBL7011996

SCHEMBL7011996

COc1ccc2[nH]cc(C3CCN(C)CC3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 19/20 1.00
HTR1D P28221 14/20 1.00
HTR1B P28222 13/20 1.00
HTR1A P08908 10/20 0.59
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
HTR6 P50406 1/20 0.56
HTR4 Q13639 1/20 0.56

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
SCHEMBL7009081 0.81 HTR1F (0.71) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7007941 0.81 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7012196 0.81 HTR1F (0.77) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009480 0.79 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005580 0.77 HTR1F (0.69) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL30909178 0.77 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL3257683 0.77 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7015666 0.76 HTR1F (0.68) HTR1FHTR1DHTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL7011280 0.76 HTR1F (0.65) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7004931 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089993-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2003-10-22 EP 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