SCHEMBL11564648

SCHEMBL11564648

Cc1cc(NC(=O)C2(C)CC2)ccc1NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CETP P11597 3/20 0.42
P2RX7 Q99572 1/20 0.41
PARP1 P09874 1/20 0.39
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 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
SCHEMBL11558200 0.85 CETP (0.41) CNR1CNR2CETPP2RX7PARP1
SCHEMBL11562302 0.84 CNR1 (0.41) CNR1CNR2CETPP2RX7PARP1
SCHEMBL11557816 0.82 CETP (0.41) CETPBACE1NPSR1
SCHEMBL11565472 0.81 CNR1 (0.43) CNR1CNR2CETPP2RX7PARP1
SCHEMBL11433474 0.77 CNR1 (0.40) CNR1CNR2CETPP2RX7PARP1
SCHEMBL11435252 0.77 RORC (0.47) CNR1CNR2KDM4ERAB9ANPC1
SCHEMBL15886280 0.77 BACE1 (0.52) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL9268445 0.76 CNR1 (0.41) CNR1CNR2P2RX7PARP1BACE1
SCHEMBL11426827 0.76 CNR1 (0.47) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11427970 0.74 NPC1 (0.48) CNR1CNR2CETPP2RX7PARP1

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
US-4168153-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-18 US disclosed