SCHEMBL8292045

SCHEMBL8292045

CC(OC1CCCOC1)N1CC(c2ccc(Cl)c(Cl)c2)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 9/20 0.38
KCNH2 Q12809 5/20 0.38
SRD5A1 P18405 1/20 0.35
NPC1 O15118 1/20 0.32
CYP2D6 P10635 5/20 0.32
CXCR2 P25025 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
IDH1 O75874 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
SCHEMBL8298259 0.88 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KCNH2SRD5A1
SCHEMBL8291783 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8311113 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8300632 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8291779 0.72 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL8300797 0.70 PDE4A (0.40) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8558088 0.68 PDE4A (0.39) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8593208 0.64 UTS2R (0.39) SLC6A3CYP2D6
SCHEMBL5901202 0.61 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2SRD5A1
SCHEMBL8742506 0.61 SIGMAR1 (0.39) SLC6A2SLC6A4SLC6A3KCNH2

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
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
US-5770735-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions in which they are present ELF SANOFI (FR) 1998-06-23 US disclosed
US-5625060-A Polycyclic amine compounds and their enantiomers, their method of preparation and pharmaceutical compositions on which they are present Sanofi, Elf (FR) 1997-04-29 US disclosed
US-5340822-A Substance P, neurokinin antagonists ELF SANOFI (FR) 1994-08-23 US disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed