SCHEMBL7620575

SCHEMBL7620575

CCN1CCN(c2ccc(C)cn2)CC(C)N(c2ccc(C)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
DRD4 P21917 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
DHFR P00374 1/20 0.41
SGPL1 O95470 5/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39

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
SCHEMBL14376090 0.83 KDM4E (0.56) DRD2DRD3DRD1DRD5DRD4
SCHEMBL1331372 0.81 GRM1 (0.48) DRD4HTR1AKDM4E
SCHEMBL18948500 0.75 CHRM1 (0.45) DRD2DRD3DRD1DRD5DRD4
SCHEMBL25563527 0.75 MAPT (0.39) KDM4EGAASGPL1GRIN2DGRIN3B
SCHEMBL14853346 0.73 PDE10A (0.43) DRD2DRD3DRD1DRD5DRD4
SCHEMBL16472352 0.72 GRIN2D (0.49) DRD2DRD3DRD1DRD5DRD4
SCHEMBL15496957 0.72 DRD2 (0.60) DRD2DRD3DRD1DRD5DRD4
SCHEMBL21424864 0.72 GRIN2D (0.59) DRD2DRD3DRD1DRD5DRD4
SCHEMBL17696420 0.70 SMPD3 (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13725120 0.70 SMPD3 (0.45) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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-6432900-B1 ANTISOILANTS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-08-13 US disclosed