SCHEMBL24372740

SCHEMBL24372740

CCCc1ccc(CN)c(CN)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
BACE1 P56817 1/20 0.44
ALOX5 P09917 1/20 0.40
CA2 P00918 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
SKP2 Q13309 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR2A P28223 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
HTR1A P08908 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL24372416 0.90 BACE1 (0.49) CNR1CNR2BACE1TAAR1HTR2A
SCHEMBL27759345 0.83 SKP2 (0.47) CNR1CNR2BACE1ALOX5CA2
SCHEMBL14615249 0.83 TAAR1 (0.43) CNR1CNR2BACE1ALOX5CA2
SCHEMBL27553915 0.83 SKP2 (0.43) CNR1CNR2BACE1ALOX5CA2
SCHEMBL28098160 0.82 TAAR1 (0.44) BACE1CA2TAAR1NPC1MAPT
SCHEMBL24176989 0.82 BACE1 (0.62) CNR1CNR2BACE1ALOX5TAAR1
Hydrochloric Acid SCHEMBL11677649 0.80 BACE1 (0.61) CNR1CNR2BACE1ALOX5TAAR1
SCHEMBL9740304 0.79 CNR1 (0.50) CNR1CNR2BACE1ALOX5CA2
SCHEMBL16638886 0.79 KDM4E (0.53) ALOX5TAAR1
SCHEMBL21377563 0.79 AOC1 (0.40) CNR1CNR2BACE1ALOX5CA2

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-3988090-A1 P62 LIGAND COMPOUND AND ER-PHAGY-PROMOTING USE THEREOF Protech Inc. (KR) 2022-04-27 EP disclosed