SCHEMBL7413202

SCHEMBL7413202

[NH]CCN1CCN(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.69
SIGMAR1 Q99720 4/20 0.67
DRD2 P14416 3/20 0.67
HTR1A P08908 3/20 0.65
CYP2D6 P10635 1/20 0.62
CHRNA7 P36544 1/20 0.60
DRD4 P21917 1/20 0.58
DRD3 P35462 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTR2A P28223 1/20 0.57
HRH1 P35367 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
HTR7 P34969 1/20 0.56

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
SCHEMBL6938937 0.89 KCNH2 (0.76) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL9041083 0.87 KCNH2 (0.80) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL5988317 0.83 KCNH2 (0.88) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL4528457 0.82 KCNH2 (1.00) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL4703805 0.81 CHKA (0.53) DRD2DRD4DRD3HRH1
SCHEMBL10684565 0.80 CYP2D6 (0.79) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL11762555 0.80 KCNH2 (0.69) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL3453669 0.80 DRD2 (1.00) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL11751661 0.80 KCNH2 (0.69) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL12605630 0.80 KCNH2 (0.69) KCNH2SIGMAR1DRD2HTR1ACYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5273976-A Ocular hypotensive agents SANKYO COMPANY, LIMITED (JP) 1993-12-28 US disclosed
US-5175161-A Treatment of glaucoma SANKYO COMPANY, LIMITED (JP) 1992-12-29 US disclosed
EP-0391721-A2 Ocular hypotensive agents Sankyo Company Limited (JP) 1990-10-10 EP disclosed