SCHEMBL18176038

SCHEMBL18176038

NN[C@H]1CC[C@H](NC(=O)Nc2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.71
RAB9A P51151 7/20 0.71
EPHX2 P34913 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 3/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
FAAH O00519 1/20 0.57
GAA P10253 1/20 0.54
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CTSC P53634 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL15263046 0.91 EPHX1 (0.83) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL10825858 0.91 EPHX1 (0.83) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL584079 0.87 EPHX1 (0.71) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL584080 0.87 EPHX1 (0.71) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL5469266 0.86 EPHX1 (0.75) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL5469269 0.86 EPHX1 (0.75) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL13949482 0.85 EPHX1 (0.73) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL4266974 0.85 EPHX1 (0.73) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL2752734 0.84 RAB9A (0.96) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1
SCHEMBL28218814 0.84 EPHX1 (0.90) EPHX1RAB9AEPHX2SMN1; SMN2ALDH1A1

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-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed