SCHEMBL4975345

SCHEMBL4975345

CC(=O)Oc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
S1PR5 Q9H228 1/20 0.42
MLNR O43193 3/20 0.42
SIGMAR1 Q99720 2/20 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
SCHEMBL4975344 0.89 LTA4H (0.55) LTA4HSMN1; SMN2CA1CA2CA4
SCHEMBL12520647 0.85 LTA4H (0.63) LTA4HSMN1; SMN2SIGMAR1
SCHEMBL4287551 0.85 LTA4H (0.63) LTA4HSMN1; SMN2SIGMAR1
SCHEMBL3494681 0.84 LTA4H (0.64) LTA4HCA1CA2CA4CA9
SCHEMBL18325 0.83 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3491795 0.83 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL24350 0.83 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3493753 0.81 LTA4H (0.57) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3493797 0.81 LTA4H (0.57) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3495252 0.81 MAPK1 (0.52) LTA4HSMN1; SMN2ALDH1A1CA1CA2

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