SCHEMBL383045

SCHEMBL383045

CCOC(=O)c1ccc(N2CCC(NC3=NCCN3Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.41
P2RY12 Q9H244 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
TP53 P04637 1/20 0.41
HDAC1 Q13547 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
SCHEMBL6135044 0.74 MAPT (0.51) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL382838 0.73 PTGIR (0.53) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL22816516 0.72 CYP19A1 (0.46) MAPTALDH1A1L3MBTL1LMNATSHR
SCHEMBL382510 0.72 NOS2 (0.51) MAPTALDH1A1TSHRMAPK1MEN1
SCHEMBL382698 0.70 ITGB3 (0.53) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL378108 0.70 MEN1 (0.50) MAPTALDH1A1LMNATSHRMEN1
Hydrochloric Acid SCHEMBL2514818 0.70 MEN1 (0.50) ALDH1A1LMNATSHRMAPK1GAA
SCHEMBL7095345 0.69 ALDH1A1 (0.52) MAPTALDH1A1TSHRMAPK1GAA
SCHEMBL3457437 0.68 HPGD (0.55) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL378276 0.68 TDP1 (0.60) MAPTALDH1A1LMNATSHRMAPK1

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 4 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
CN-1140511-C As integrin alphavβ3Aminopiperidine derivatives as antagonists �����Ƹ���ʽ���� 2004-03-03 CN 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