SCHEMBL17366255

SCHEMBL17366255

Cc1cc(I)ccc1OCC1CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
SSTR4 P31391 1/20 0.41
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
VDR P11473 1/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR2 P34972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 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
SCHEMBL17366268 0.85 DRD4 (0.61) DRD4RAB9AADRA2C
SCHEMBL10188107 0.84 RAB9A (0.52) ALDH1A1GLAMAPTRAB9ATSHR
SCHEMBL17366258 0.82 SSTR4 (0.43) ALDH1A1GLASSTR4HTR2AHTR2B
SCHEMBL12180345 0.77 RAB9A (0.62) ALDH1A1GLAMAPTRAB9ATSHR
SCHEMBL3052373 0.74 RAB9A (0.44) DRD4ALDH1A1GLAMAPTRAB9A
SCHEMBL1020226 0.72 ESR1 (0.46) DRD4ALDH1A1SSTR4MAPTRAB9A
SCHEMBL15337638 0.72 RAB9A (0.42) ALDH1A1GLAMAPTRAB9ATSHR
SCHEMBL17908114 0.71 PTGER1 (0.56) ALDH1A1MAPTRAB9ATSHRSMN1; SMN2
SCHEMBL28724733 0.71 RAB9A (0.41) ALDH1A1GLAMAPTRAB9ATSHR
SCHEMBL28724732 0.71 RAB9A (0.41) ALDH1A1GLAMAPTRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed