SCHEMBL28367223

SCHEMBL28367223

CC1CCNCC1.O=CNCc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
SSTR4 P31391 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL349260 0.80 ADH1B (0.61) POLBADH1BADH1CADH1AADH7
Hydrochloric Acid SCHEMBL8185827 0.79 ADH1B (0.59) POLBADH1BADH1CADH1AADH7
SCHEMBL27666130 0.76 ADH1B (0.55) POLBADH1BADH1CADH1AADH7
SCHEMBL3359770 0.74 POLB (0.69) POLBRAB9APRMT5WDR77KMT2A
SCHEMBL24677609 0.73 SLC6A2 (0.50) ADH1BADH1CADH1AADH7PRMT5
SCHEMBL31507093 0.72 PRMT5 (0.70) POLBNPC1RAB9APRMT5WDR77
SCHEMBL23655531 0.72 SMN1; SMN2 (0.49) POLBADH1BADH1CADH1AADH7
SCHEMBL23655787 0.71 L3MBTL1 (0.53) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL24677400 0.71 CXCR4 (0.56) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL8763196 0.71 ADH1B (0.76) ADH1BADH1CADH1AADH7KMT2A

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-110878070-B Method for preparing asymmetric urea compound 中国科学院化学研究所 2021-08-31 CN disclosed
CN-110878070-A Method for preparing asymmetric urea compound 中国科学院化学研究所 2020-03-13 CN disclosed