SCHEMBL9735532

SCHEMBL9735532

O=C1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
AKR1C3 P42330 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GPR183 P32249 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FAAH O00519 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.45
LSS P48449 1/20 0.44
PLA2G7 Q13093 1/20 0.44
MGLL Q99685 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
DRD4 P21917 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL9735095 0.89 PARP1 (0.51) PARP1
SCHEMBL8824257 0.89 L3MBTL1 (0.62) PARP1POLBKDM4EALDH1A1MAPT
SCHEMBL9734496 0.89 KMT2A (0.53) POLBKDM4EALDH1A1KMT2AEPHX2
SCHEMBL9734613 0.86 GFER (0.50) PARP1POLBALDH1A1GPR183KMT2A
SCHEMBL9735099 0.86 POLB (0.53) POLBKDM4EALDH1A1HTTL3MBTL1
SCHEMBL9736225 0.84 KDM4E (0.51) KDM4EALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL9736130 0.82 NAMPT (0.61) AKR1C3ALDH1A1HTTNPSR1KMT2A
SCHEMBL9735854 0.82 KMT2A (0.58) PARP1AKR1C3POLBALDH1A1MAPT
SCHEMBL9735195 0.82 ALDH1A1 (0.52) PARP1POLBALDH1A1HTTFAAH
SCHEMBL9736208 0.81 SMN1; SMN2 (0.62) KDM4EALDH1A1HTTKMT2A

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed