SCHEMBL11019307

SCHEMBL11019307

C=CC(=O)c1ccc(Cl)c(Cl)c1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL11019878 0.78 CYP2A13 (0.55) CYP2A13MEN1KMT2AALDH1A1RAB9A
SCHEMBL22946312 0.75 CYP2A13 (0.58) CYP2A13L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL22946195 0.75 CYP2A13 (0.58) CYP2A13L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL30424191 0.75 CYP2A13 (0.58) CYP2A13L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL30423757 0.75 CYP2A13 (0.58) CYP2A13L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11019683 0.74 CYP2A13 (0.51) CYP2A13L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL22946201 0.74 HCRTR1 (0.57) CYP2A13L3MBTL1CNR1MEN1KMT2A
SCHEMBL11018569 0.71 KDM4E (0.53) L3MBTL1ALDH1A1NPC1RAB9AHCRTR1
SCHEMBL11036675 0.70 KDM4E (0.47) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL11023596 0.69 CTSB (0.65) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP claimed
EP-0156785-A1 2-(Aminoalkyl)-acrylophenones, their preparation and their use S.A.R.L. GALEPHAR (FR) 1985-10-02 EP disclosed