SCHEMBL4771706

SCHEMBL4771706

CCc1c(-c2ccc3c(c2)CCC(N2CCCC2)C3)ccc(C(N)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.37
ETV6 P41212 1/20 0.37
BTK Q06187 2/20 0.34
FAAH O00519 1/20 0.34
CDC7 O00311 1/20 0.34
CDK9 P50750 1/20 0.34
HSP90AA1 P07900 5/20 0.33
OPRL1 P41146 2/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL3 Q96JM7 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
YWHAG P61981 1/20 0.33

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
SCHEMBL4666095 0.83 HSP90AA1 (0.39) AXLETV6BTKFAAHCDC7
SCHEMBL4304196 0.81 L3MBTL3 (0.41) AXLETV6FAAHCDC7CDK9
SCHEMBL4145725 0.75 HTR1A (0.44) FAAHOPRL1OPRM1OPRK1
SCHEMBL5667544 0.74 HRH3 (0.45) BTKHRH3
SCHEMBL4664249 0.74 FYN (0.41) FAAHOPRL1OPRM1OPRK1FYN
SCHEMBL4135754 0.72 HRH3 (0.42) FAAHL3MBTL3HRH3
SCHEMBL4136777 0.72 GRIN2B (0.41) FAAHOPRL1KCNH2OPRM1OPRK1
SCHEMBL4144270 0.72 TDP2 (0.45) FAAHL3MBTL3L3MBTL1HRH3
SCHEMBL4140118 0.72 TDP2 (0.45) FAAHL3MBTL3L3MBTL1HRH3
SCHEMBL4140115 0.72 TDP2 (0.45) FAAHL3MBTL3L3MBTL1HRH3

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-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP disclosed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed