SCHEMBL7326919

SCHEMBL7326919

O=C1CCCCCN(C(=O)OCc2ccccc2)CCCCCCN1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ PARP1 P09874 4/20 0.46
▸ GRIN2B Q13224 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ TGM2 P21980 1/20 0.42

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
SCHEMBL1570844 0.85 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6557909 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 0.84 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25551746 0.84 TMEM97 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3074986 0.84 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27499702 0.83 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29927440 0.83 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.83 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-0527761-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY Beecham Group p.l.c. (GB) 1993-02-24 — — EP disclosed
WO-1991015506-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY BEECHAM GROUP PLC (GB) 1991-10-17 — — WO disclosed
Send feedback