SCHEMBL7007607

SCHEMBL7007607

CCC(=O)Nc1ccc2[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 20/20 1.00
HTR1D P28221 13/20 1.00
HTR1B P28222 12/20 1.00
HTR1A P08908 11/20 1.00
HTR2A P28223 2/20 1.00
HTR2C P28335 2/20 1.00
HTR1E P28566 2/20 1.00
HTR4 Q13639 2/20 1.00
HTR6 P50406 1/20 1.00

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
SCHEMBL7015988 0.92 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011770 0.91 HTR1F (0.83) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005835 0.90 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7011869 0.90 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009046 0.89 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7006579 0.89 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7013589 0.89 HTR1F (0.80) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009030 0.89 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7005319 0.89 HTR1F (0.79) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL7009231 0.88 HTR1F (1.00) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP claimed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP claimed
EP-0916669-B1 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine LILLY CO ELI (US) 2003-04-09 EP claimed
EP-1296982-A1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP claimed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO claimed
US-6150525-A Pyrrolo [3,2-b]pyridine processes and intermediates ELI LILLY AND COMPANY (US) 2000-11-21 US claimed
EP-0916669-A2 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine ELI LILLY AND COMPANY (US) 1999-05-19 EP claimed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP claimed
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-0916669-B1 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine LILLY CO ELI (US) 2003-04-09 EP disclosed
EP-1296982-A1 1-(HETEROARYL-PHENYL)-CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
WO-2002000655-A1 1 - (HETEROARYL-PHENYL) - CONDENSED PYRAZOL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-03 WO disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
US-6150525-A Pyrrolo [3,2-b]pyridine processes and intermediates ELI LILLY AND COMPANY (US) 2000-11-21 US disclosed
US-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0916669-A2 Processes and intermediates for the preparation of Pyrrolo(3,2-b)pyridine ELI LILLY AND COMPANY (US) 1999-05-19 EP disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed