SCHEMBL4972244

SCHEMBL4972244

COC(=O)Cc1ccc(OCC2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
ADRB1 P08588 1/20 0.44
KDM1A O60341 1/20 0.40
LIPE Q05469 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL4295550 0.89 KDM1A (0.43) LTA4HKDM1ALIPESMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4283402 0.88 KDM1A (0.42) LTA4HKDM1ALIPESMN1; SMN2RAB9A
SCHEMBL3491813 0.86 GPR119 (0.42) LTA4HADRB1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4975002 0.84 MAPT (0.46) LTA4HADRB1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4288512 0.82 LTA4H (0.52) LTA4HADRB1PARP1
SCHEMBL28045093 0.82 LTA4H (0.52) LTA4HADRB1PARP1
SCHEMBL4979175 0.82 LTA4H (0.52) LTA4HADRB1PARP1
SCHEMBL3491740 0.81 LTA4H (0.46) LTA4HADRB1
SCHEMBL3493135 0.80 LTA4H (0.43) LTA4HADRB1PARP1
SCHEMBL4974701 0.79 LTA4H (0.40) LTA4HADRB1ALDH1A1LMNAKDM4E

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-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed