SCHEMBL6950437

SCHEMBL6950437

CC1(CC=O)CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ADRA2A P08913 1/20 0.35
NOTUM Q6P988 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL10580376 0.77 ADRA2A (0.36) SIGMAR1ADRA2ANOTUMATMALDH1A1
SCHEMBL9519923 0.77 HTR2A (0.44) SIGMAR1ADRA2AATMDRD2DRD1
Hydrochloric Acid SCHEMBL10471562 0.76 SLC6A2 (0.38) SIGMAR1ADRA2AATMALDH1A1DRD2
Hydrochloric Acid SCHEMBL9518269 0.75 HTR2A (0.43) SIGMAR1ADRA2AATMDRD2DRD1
SCHEMBL28230100 0.75 ALDH1A1 (0.40) SIGMAR1NOTUMATMALDH1A1SMN1; SMN2
SCHEMBL9515942 0.75 CYP2D6 (0.36) SIGMAR1ADRA2AATMDRD2DRD1
SCHEMBL9515982 0.74 SLC6A4 (0.39) SIGMAR1ADRA2A
Hydrochloric Acid SCHEMBL9519827 0.73 CYP2D6 (0.35) SIGMAR1ADRA2AATMKMT2ASMN1; SMN2
SCHEMBL12203619 0.73 ADRA2A (0.38) SIGMAR1ADRA2ANOTUMATMALDH1A1
Hydrochloric Acid SCHEMBL9515939 0.72 HTR2A (0.37) SIGMAR1ADRA2ADRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed