SCHEMBL6552996

SCHEMBL6552996

CC(=N)N1CCN(CCOc2cc(C)cc(OCc3ccccc3Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
MCHR1 Q99705 1/20 0.48
KCNA5 P22460 5/20 0.45
HRH3 Q9Y5N1 3/20 0.43
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40
PRSS2 P07478 1/20 0.40

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
Acetic Acid SCHEMBL6553027 0.96 KCNA5 (0.49) F2MCHR1KCNA5HRH3DRD3
SCHEMBL6553561 0.83 CD274 (0.49) MCHR1KCNA5HRH3DRD3DRD2
Hydrochloric Acid SCHEMBL6554468 0.82 MCHR1 (0.50) MCHR1HRH3MEN1KMT2AALDH1A1
SCHEMBL7140961 0.73 MCHR1 (0.73) MCHR1HRH3HTT
Acetic Acid SCHEMBL7451815 0.73 F2 (0.68) F2F10PRSS2
SCHEMBL7606279 0.72 F2 (0.69) F2F10PRSS2
Acetic Acid SCHEMBL8366230 0.72 KCNA5 (0.67) KCNA5DRD3DRD2MEN1KMT2A
SCHEMBL6553403 0.71 MAOB (0.52) F2MAOAMAOBMEN1KMT2A
Acetic Acid SCHEMBL7443924 0.71 F2 (0.66) F2F10PRSS2
SCHEMBL30858768 0.70 MAOB (0.48) F2MAOAMAOBMEN1KMT2A

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-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 EP claimed