SCHEMBL10891765

SCHEMBL10891765

Clc1ccc(NCCC2CCCCN2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.49
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41

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
SCHEMBL4199012 0.87 CHRM1 (0.37) LTA4H
SCHEMBL4199016 0.87 CHRM1 (0.37) LTA4H
SCHEMBL5289989 0.80 LTA4H (0.50) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL23130390 0.76 KDM1A (0.51) CYP2C19SMN1; SMN2
SCHEMBL6224277 0.74 SMN1; SMN2 (0.41) F2F10PLATPRSS1PRSS2
SCHEMBL27356338 0.73 CYP1A2 (0.40) LTA4HF2F10PLATPRSS1
SCHEMBL11448671 0.73 LTA4H (0.68) LTA4H
SCHEMBL11969843 0.72 LTA4H (0.42) LTA4HCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL6364667 0.72 CYP1A2 (0.44) F2F10PLATPRSS1PRSS2
SCHEMBL18577477 0.72 POLB (0.69) LTA4HSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596891-A PHENYL-N,N'-DIETHYLETHYLENE DIAMINES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1986-06-24 US disclosed
US-4286983-A INCLUDING COMPOUNDS OF THE N-PHENYL-N',N'-DIETHYL ALKYLENEDIAMINE TYPE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1981-09-01 US disclosed