SCHEMBL4960414

SCHEMBL4960414

Brc1ccc(CCN2CCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
L3MBTL3 Q96JM7 2/20 0.62
MBTD1 Q05BQ5 1/20 0.62
SIGMAR1 Q99720 3/20 0.60
SLC6A3 Q01959 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL1241103 0.96 HRH3 (0.68) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL6627983 0.94 HRH3 (0.71) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL2730391 0.91 SIGMAR1 (0.57) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL1239240 0.84 SIGMAR1 (0.57) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL2326201 0.84 LTA4H (0.64) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL578554 0.82 SIGMAR1 (0.60) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL3657323 0.82 KCNH2 (0.59) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL7491748 0.81 MAPT (0.50) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1
SCHEMBL24495209 0.80 SPHK1 (0.63) HRH3SIGMAR1
SCHEMBL16345749 0.80 SIGMAR1 (0.45) HRH3L3MBTL1L3MBTL3MBTD1SIGMAR1

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-1945628-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007040440-A1 NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE ASTRAZENECA AB (SE) 2007-04-12 WO disclosed