SCHEMBL11065784

SCHEMBL11065784

Cc1cccc(N2CCN(CCCCNC(=O)NCC(=O)O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.62
DRD2 P14416 10/20 0.60
DRD3 P35462 8/20 0.60
HTR2A P28223 7/20 0.60
HTR1A P08908 6/20 0.60
HTR2C P28335 5/20 0.60
HRH1 P35367 1/20 0.57
DRD4 P21917 2/20 0.56
LMNA P02545 1/20 0.56
GFER P55789 1/20 0.56
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL4525601 0.83 HSD17B10 (0.72) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL4519876 0.78 KCNH2 (1.00) KCNH2HTR7
SCHEMBL13711963 0.78 HTR2A (0.80) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL4522741 0.77 HTR1A (0.79) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL4523970 0.77 KCNH2 (1.00) KCNH2HTR7
SCHEMBL7601947 0.77 KCNH2 (0.59) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL4527921 0.76 DRD3 (0.63) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL3239128 0.76 HTR2A (0.74) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL3198969 0.75 KCNH2 (0.72) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL4522956 0.75 DRD3 (1.00) KCNH2DRD2DRD3HTR2AHTR1A

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-4452798-A 1-Substituted phenyl-4-alkyl hydantoin piperazine compounds as antihypertensive agents WARNER-LAMBERT COMPANY (US) 1984-06-05 US disclosed