SCHEMBL8027290

SCHEMBL8027290

Cc1ccc(-c2nc3ccc(OCCN(C)C)cc3n2Cc2ccccc2C(F)(F)F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.44
DRD3 P35462 9/20 0.44
UTS2R Q9UKP6 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
BRD4 O60885 1/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
TNK2 Q07912 1/20 0.37
ALOX5AP P20292 2/20 0.37
PDE6D O43924 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL8027486 0.96 DRD3 (0.50) DRD2DRD3TDP1ACSS2BRD4
SCHEMBL8011267 0.91 ALOX5AP (0.39) DRD2DRD3TDP1ACSS2BRD4
SCHEMBL8024086 0.90 DRD2 (0.43) DRD2DRD3UTS2RTDP1ACSS2
SCHEMBL8027305 0.87 ALOX5AP (0.40) DRD2DRD3TDP1ACSS2BRD4
SCHEMBL8011191 0.86 DRD3 (0.46) DRD2DRD3ACSS2BRD4FGFR1
SCHEMBL8025592 0.86 DRD2 (0.48) DRD2DRD3TDP1FGFR1SRC
SCHEMBL8023867 0.85 DRD2 (0.41) DRD2DRD3UTS2RTDP1BRD4
SCHEMBL8026804 0.85 ESR1 (0.52) DRD2DRD3ACHE
SCHEMBL8011162 0.84 BRD4 (0.39) DRD2DRD3TDP1BRD4ALOX5AP
SCHEMBL8024684 0.82 DRD3 (0.52) DRD2DRD3BRD4FGFR1SRC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US claimed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US claimed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP claimed
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed