SCHEMBL8023740

SCHEMBL8023740

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.46
DRD3 P35462 8/20 0.46
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
TNF P01375 1/20 0.38
IL6 P05231 1/20 0.38
KIF11 P52732 3/20 0.37
NEK2 P51955 1/20 0.37
PLK1 P53350 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
FYN P06241 1/20 0.37
FGFR1 P11362 1/20 0.36
SRC P12931 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
SCHEMBL8023867 0.96 DRD2 (0.41) DRD2DRD3TLR7MEN1KMT2A
SCHEMBL8027433 0.89 ALOX5AP (0.40) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8020913 0.87 DRD2 (0.48) DRD2DRD3TLR7MEN1KMT2A
SCHEMBL8025592 0.86 DRD2 (0.48) DRD2DRD3TLR7TNFIL6
SCHEMBL8020993 0.86 ALOX5AP (0.39) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8024123 0.86 DRD2 (0.47) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8027486 0.86 DRD3 (0.50) DRD2DRD3TLR7TNFIL6
SCHEMBL8021659 0.85 ESR1 (0.49) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8023219 0.85 DRD2 (0.51) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL8010690 0.85 ESR1 (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