SCHEMBL9527993

SCHEMBL9527993

O=C1CCCCN1Cc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
HRH3 Q9Y5N1 2/20 0.62
ACHE P22303 1/20 0.49
ACACB O00763 1/20 0.49
CYP1A2 P05177 2/20 0.46
GRIA2 P42262 2/20 0.46
CYP2C9 P11712 1/20 0.46
LTA4H P09960 1/20 0.45
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
GRM2 Q14416 1/20 0.41
PARP1 P09874 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL7309437 0.95 L3MBTL1 (0.60) L3MBTL1HRH3ACHEACACBCYP1A2
Hydrochloric Acid SCHEMBL9151437 0.93 L3MBTL1 (0.58) L3MBTL1HRH3ACHEACACBCYP1A2
SCHEMBL11200681 0.85 L3MBTL1 (0.76) L3MBTL1HRH3ACHEACACBCYP1A2
SCHEMBL8899205 0.83 HRH3 (0.57) L3MBTL1HRH3ACHECYP1A2SMN1; SMN2
SCHEMBL596252 0.82 L3MBTL1 (0.96) L3MBTL1HRH3ACHEACACBCYP2C9
SCHEMBL9016152 0.81 L3MBTL1 (0.65) L3MBTL1HRH3ACHELTA4HTDP1
SCHEMBL7269112 0.81 L3MBTL1 (1.00) L3MBTL1HRH3ACHEACACBKCNH2
SCHEMBL2223756 0.81 L3MBTL1 (0.70) L3MBTL1HRH3ACHEACACBCYP1A2
SCHEMBL1626076 0.81 L3MBTL1 (1.00) L3MBTL1HRH3ACHEACACBKCNH2
SCHEMBL12947867 0.81 L3MBTL1 (0.70) L3MBTL1HRH3ACHEACACBSMN1; SMN2

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-0561898-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-29 EP disclosed
WO-1992010499-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-06-25 WO disclosed