SCHEMBL8921432

SCHEMBL8921432

Cn1c(=O)oc2cc(CCN3CC4CCC(CC4)C3)cnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM1A O60341 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL8918622 0.84 HRH3 (0.41) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8918611 0.81 SIGMAR1 (0.41) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8919139 0.81 HRH3 (0.34) HTR1AKDM1ASIGMAR1TP53PDE10A
SCHEMBL8628216 0.78 PDE10A (0.35) L3MBTL1PDE10AALDH1A1PKMKMT2A
SCHEMBL8918424 0.76 HTR1A (0.51) HTR1ASLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8630456 0.76 PDE10A (0.36) HTR1AL3MBTL1PDE10AALDH1A1PKM
SCHEMBL8917996 0.75 SIGMAR1 (0.44) HTR1ASIGMAR1ALDH1A1KMT2AHPGD
SCHEMBL8624806 0.74 HSD17B10 (0.35) KDM1AL3MBTL1PDE10AALDH1A1PKM
SCHEMBL8919081 0.73 PDE1B (0.41) HTR1AALDH1A1HPGDTSHRGAA
SCHEMBL8917938 0.72 PDE1B (0.43) SIGMAR1ALDH1A1KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed