SCHEMBL8504541

SCHEMBL8504541

CCCc1cccc(C2CCCN2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
CHRNA7 P36544 3/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL18466133 0.88 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL20671931 0.84 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL18617707 0.81 CHRNB2 (0.49) DRD2DRD3CHRNA7CHRNB2CHRNA4
SCHEMBL8219698 0.81 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL8276784 0.81 CHRNB2 (0.45) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL27527125 0.77 MEN1 (0.50) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL8221503 0.77 PRMT6 (0.45) DRD2CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL8212158 0.77 PRMT6 (0.49) DRD2CHRNA7CHRNB2CHRNA4L3MBTL1
SCHEMBL18616367 0.76 CHRNB2 (0.41) CHRNA7CHRNB2CHRNA4L3MBTL1MEN1
SCHEMBL4379176 0.76 DRD3 (0.67) DRD2DRD1DRD4DRD5DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed