SCHEMBL23348993

SCHEMBL23348993

CC1CCN(c2cc(Cl)ccc2C=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
GRM5 P41594 2/20 0.44
TP53 P04637 2/20 0.43
MGLL Q99685 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL20198169 0.91 TRPC3 (0.45) TRPC3ALDH1A1HTTGRM5TP53
SCHEMBL20769603 0.86 PIM1 (0.44) TRPC3ALDH1A1TDP1POLBMAPT
SCHEMBL20018697 0.83 MAPT (0.49) ALDH1A1HTTTP53POLBMAPT
SCHEMBL15093884 0.82 ALDH1A3 (0.53) ALDH1A1HTTTP53TDP1POLB
SCHEMBL26618064 0.82 ALDH1A1 (0.43) ALDH1A1HTTTP53POLBMAPT
SCHEMBL19582589 0.81 ALDH1A1 (0.54) ALDH1A1HTTTP53TDP1POLB
SCHEMBL18064770 0.80 L3MBTL1 (0.62) ALDH1A1POLBDRD2MAPTHPGD
SCHEMBL20424771 0.79 ALDH1A1 (0.48) ALDH1A1HTTTP53POLBMAPT
SCHEMBL18064765 0.79 PIM2 (0.62) TDP1MAPTPIM1PIM3PIM2
SCHEMBL18064945 0.79 PIM2 (0.62) TDP1MAPTPIM1PIM3PIM2

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-3271352-B1 PIPERAZINE CARBAMATES AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2021-05-12 EP disclosed