SCHEMBL9735958

SCHEMBL9735958

O=C1CCC(C(=O)N2CCN(CCOc3ccccc3Cl)CC2)N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.53
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.50
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 1/20 0.45
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
NAMPT P43490 2/20 0.43

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
SCHEMBL9734416 0.85 KCNA5 (0.56) KCNA5ALDH1A1KMT2AMEN1DRD2
SCHEMBL9734873 0.80 KDM4E (0.57) KCNA5ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL9735195 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TSHREPHX2
SCHEMBL9734398 0.79 KCNA5 (0.55) KCNA5DRD2DRD3
SCHEMBL9734496 0.76 KMT2A (0.53) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL9735575 0.76 RAB9A (0.56) ALDH1A1KMT2AKDM4EMEN1EPHX2
SCHEMBL9737198 0.76 NAMPT (0.54) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL9735044 0.74 TPSAB1 (0.46) KMT2AMEN1SMN1; SMN2TSHREPHX2
SCHEMBL9734342 0.74 HRH2 (0.55) KCNA5DRD2
SCHEMBL17842360 0.74 KDM4E (0.70) KCNA5ALDH1A1KMT2AKDM4EMEN1

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