SCHEMBL4200462

SCHEMBL4200462

CC(C)N(C(=O)CN(CCN1CCNCC1)C(=O)C(=O)c1c[nH]c2ccccc12)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HTR7 P34969 4/20 0.43
DRD2 P14416 2/20 0.43
KCNH2 Q12809 1/20 0.43
GABRA1 P14867 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA2 P47869 5/20 0.40
GABRB2 P47870 5/20 0.40
KMT2A Q03164 2/20 0.40
MC4R P32245 2/20 0.40
MC5R P33032 2/20 0.40
MC3R P41968 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3943969 0.86 DRD2 (0.46) HTR2AHTR7DRD2KCNH2GABRA1
SCHEMBL4200459 0.76 RAB9A (0.43) HTR2AHTR7DRD2GABRA1GABRG2
SCHEMBL3943143 0.73 RAB9A (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3950113 0.73 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4199731 0.72 ALDH1A1 (0.42) HTR2AHTR7DRD2KCNH2KMT2A
SCHEMBL3943966 0.72 RAB9A (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3942488 0.71 RAB9A (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4347563 0.70 MAPT (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3129331 0.69 MEN1 (0.42) HTR2AHTR7DRD2KCNH2GABRA1
SCHEMBL3265904 0.69 RAB9A (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2

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
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed