SCHEMBL6051827

SCHEMBL6051827

O=C(O)c1cccc(C23CCCC2O3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
RXRA P19793 5/20 0.39
NR4A2 P43354 3/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
APEX1 P27695 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
DDB1 Q16531 1/20 0.35

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
SCHEMBL2220242 0.73 GRIN1 (0.43)
SCHEMBL15823722 0.71 CHRNA1 (0.35) MEN1ALDH1A1GAAKMT2ACYP2C9
SCHEMBL23704894 0.69 LMNA (0.40) HPGDMEN1ALDH1A1GAAKMT2A
SCHEMBL6351533 0.69 SLC6A2 (0.40)
SCHEMBL17315678 0.69
SCHEMBL14291879 0.69 AKT1 (0.45) CA12CA1CA2CA6CA9
SCHEMBL17860485 0.69 KMO (0.46) KMOHPGDHSD17B10KDM4EMEN1
SCHEMBL6851950 0.69 SLC6A4 (0.52) MEN1KMT2A
SCHEMBL6848857 0.69 SLC6A4 (0.52) MEN1KMT2A
SCHEMBL6848853 0.69 SLC6A4 (0.52) MEN1KMT2A

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-1551821-B1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2006-05-17 EP disclosed
EP-1551821-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2005-07-13 EP disclosed
WO-2004035561-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2004-04-29 WO disclosed