SCHEMBL6977346

SCHEMBL6977346

Cc1ccc(C2CCCCC(=N)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
SLC18A3 Q16572 1/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
CYP19A1 P11511 2/20 0.32
PRCP P42785 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL7631291 0.82 NOS1 (0.39) ALDH1A1SLC18A3PRCP
SCHEMBL4870454 0.71 MAPT (0.39) GID4SLC18A3MAPTGFERCYP1A2
SCHEMBL4871362 0.71 MAPT (0.39) GID4SLC18A3MAPTGFERCYP1A2
SCHEMBL3717223 0.71 MEN1 (0.51) GID4SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4912494 0.70 MAPT (0.38) GID4SLC18A3MAPTGFERCYP19A1
SCHEMBL14458009 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL22201146 0.69 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL8541954 0.69 MEN1 (0.50) GID4SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7672102 0.69 MEN1 (0.50) GID4SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7992297 0.68 MKNK1 (0.55) SMN1; SMN2MAPTKMT2AMEN1CYP1A2

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
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed