SCHEMBL28830636

SCHEMBL28830636

COc1cc(C#N)cc(OCCN2CCNCC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNA5 P22460 1/20 0.38
HTR2C P28335 1/20 0.37
PLA2G7 Q13093 7/20 0.37
ADRB1 P08588 1/20 0.37
ALK Q9UM73 1/20 0.36
RAB9A P51151 4/20 0.35
EGLN2 Q96KS0 1/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7999769 0.75 ADRB1 (0.45) HTR2CADRB1MEN1KMT2A
SCHEMBL1596034 0.73 ALDH1A1 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL20745829 0.72 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL18291282 0.71 CHRNB2 (0.41) HTR2CRAB9ANPC1KMT2A
SCHEMBL20038036 0.71 PDK2 (0.34) HRH3HTR2CRAB9ANPC1POLB
SCHEMBL26699227 0.69 TPSAB1 (0.58) ALKPOLBMEN1KMT2A
SCHEMBL29883359 0.69 TPSAB1 (0.58) ALKPOLBMEN1KMT2A
SCHEMBL20249280 0.68 NPC1 (0.38) HRH3PLA2G7RAB9ANPC1MEN1
SCHEMBL15432724 0.68 MGLL (0.33) MEN1KMT2A
SCHEMBL20528090 0.68 MGLL (0.33) MEN1KMT2A

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
CN-114957166-B Phenylacetamide compound and preparation method and application thereof 湖南省农业生物技术研究所 2023-07-25 CN disclosed
CN-114957166-A Phenylacetamide compound and preparation method and application thereof 湖南省农业生物技术研究所 2022-08-30 CN disclosed