SCHEMBL8485274

SCHEMBL8485274

CCOC(=O)CCCC(C#N)(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A3 Q01959 6/20 0.35
OPRK1 P41145 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CREBBP Q92793 1/20 0.31
P2RX3 P56373 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL6543753 0.97 MEN1 (0.38) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL6952332 0.95 SLC6A3 (0.36) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL8484373 0.93 MEN1 (0.38) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL6947257 0.91 SLC6A3 (0.37) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL7956480 0.89 MEN1 (0.39) MEN1KMT2ASLC6A3OPRK1KDM4E
SCHEMBL7765828 0.89 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4EALDH1A1
SCHEMBL3466801 0.87 MEN1 (0.34) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL8124689 0.85 MEN1 (0.43) MEN1KMT2ASLC6A3ALDH1A1P2RX3
SCHEMBL7768729 0.85 MEN1 (0.40) MEN1KMT2ASLC6A3CREBBP
SCHEMBL8478563 0.84 MEN1 (0.37) MEN1KMT2ASLC6A3OPRK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859029-A TREATING SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1999-01-12 US disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
US-5656639-A POSSESS STRONG AFFINITY FOR NK1 RECEPTORS; USEFUL IN TREATMENT OF SUBSTANCE P-DEPENDENT PATHOLOGICAL CONDITIONS SANOFI (FR) 1997-08-12 US disclosed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US disclosed
US-5554763-A TACHYKININ ANTAGONISTS SANOFI (FR) 1996-09-10 US disclosed