SCHEMBL382235

SCHEMBL382235

CCOC(=O)c1ccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
KCNH2 Q12809 2/20 0.48
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
HTR2B P41595 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
METAP1 P53582 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL383042 0.86 MAPT (0.49) MAPTMAPK1ALDH1A1LMNASIRT2
SCHEMBL383241 0.85 MAPT (0.51) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL383139 0.83 NOS2 (0.58) MAPTMAPK1ALDH1A1LMNAKCNH2
SCHEMBL9630086 0.81 NOS2 (0.51) MAPTMAPK1ALDH1A1KCNH2ITGB3
SCHEMBL7652040 0.81 MAPT (0.57) MAPTNPC1RAB9AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL9594900 0.80 NOS2 (0.50) MAPTMAPK1ALDH1A1KCNH2ITGB3
SCHEMBL9593203 0.79 NOS2 (0.54) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL381931 0.79 ITGB3 (0.46) MAPTNPC1RAB9AMAPK1KCNH2
SCHEMBL8285496 0.78 BCHE (0.54) MAPK1LMNASIRT2SIRT1
SCHEMBL6974867 0.77 SMN1; SMN2 (0.54) MAPTNPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed