SCHEMBL8023867

SCHEMBL8023867

COc1cc(-c2nc3ccc(OCCN(C)C)cc3n2Cc2ccccc2C(F)(F)F)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
UTS2R Q9UKP6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.38
KIF11 P52732 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 2/20 0.36
ALOX5AP P20292 1/20 0.36
CYP1A2 P05177 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
SCHEMBL8023740 0.96 DRD2 (0.46) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8027433 0.91 ALOX5AP (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8020932 0.87 DRD2 (0.42) DRD2DRD3UTS2RMEN1KMT2A
SCHEMBL8020993 0.87 ALOX5AP (0.39) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8024086 0.86 DRD2 (0.43) DRD2DRD3UTS2RTLR7TDP1
SCHEMBL8021659 0.86 ESR1 (0.49) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8021381 0.85 ESR1 (0.50) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8010690 0.85 ESR1 (0.50) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8027290 0.85 DRD2 (0.44) DRD2DRD3UTS2RTLR7TDP1
SCHEMBL8021424 0.85 HTT (0.50) DRD2DRD3MEN1KMT2AALDH1A1

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