SCHEMBL8720449

SCHEMBL8720449

CN1CCN(c2ccccc2NCCCCCN2CCC(c3ccccc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
HTR7 P34969 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 4/20 0.48
DRD2 P14416 3/20 0.48
BCHE P06276 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL8724139 0.82 DRD3 (0.47) HTR7MEN1KMT2ADRD3DRD2
SCHEMBL8720703 0.79 ADRA1D (0.55) SIGMAR1HTR7MEN1KMT2ATP53
SCHEMBL8724727 0.79 ADRA1D (0.55) SIGMAR1HTR7MEN1KMT2ATP53
SCHEMBL16273473 0.74 SIGMAR1 (0.62) SIGMAR1CARM1PRMT6HTR7MEN1
SCHEMBL15779804 0.72 DRD2 (0.76) SIGMAR1CARM1PRMT6MEN1KMT2A
SCHEMBL27571644 0.72 DRD2 (0.76) SIGMAR1CARM1PRMT6MEN1KMT2A
SCHEMBL8724505 0.72 SLC18A3 (0.52) CARM1PRMT6DRD3DRD2ADRA1D
SCHEMBL8476000 0.71 CARM1 (0.82) SIGMAR1CARM1PRMT6MEN1KMT2A
SCHEMBL256656 0.71 DRD2 (0.78) SIGMAR1CARM1PRMT6MEN1KMT2A
Hydrochloric Acid SCHEMBL7259165 0.70 SIGMAR1 (0.75) SIGMAR1CARM1PRMT6HTR7MEN1

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-1998042692-A1 PIPERAZINES DERIVED FROM CYCLIC AMINES, PREPARATION AND APPLICATION THEREOF AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 1998-10-01 WO disclosed