SCHEMBL11240427

SCHEMBL11240427

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)Cc1cccc(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.44
BCHE P06276 5/20 0.44
DRD2 P14416 2/20 0.44
OPRM1 P35372 2/20 0.44
DRD3 P35462 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
MAPT P10636 1/20 0.41
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL6405794 0.88 TSHR (0.47) BCHEDRD2OPRM1DRD3OPRD1
SCHEMBL7130458 0.84 KCNH2 (0.54) KCNH2BCHEDRD2OPRM1DRD3
SCHEMBL6406763 0.81 ACHE (0.47) BCHE
SCHEMBL1881521 0.80 LPL (0.53)
SCHEMBL11440647 0.80 LPL (0.53)
SCHEMBL7536683 0.80 LPL (0.53)
SCHEMBL5147572 0.80 LPL (0.53)
SCHEMBL4083034 0.80 LPL (0.53)
SCHEMBL609813 0.79 BCHE (0.49) KCNH2BCHEDRD2OPRM1DRD3
SCHEMBL7766004 0.78 KCNH2 (0.60) KCNH2BCHEDRD2OPRM1DRD3

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-0013592-B1 N,N-DISUBSTITUTED-AMINOMETHYL-PHENYLETHANOLAMINES AND PHARMACEUTICAL FORMULATIONS THEREOF PFIZER INC. (US) 1982-12-15 EP disclosed
EP-0013592-A1 N,N-disubstituted-aminomethyl-phenylethanolamines and pharmaceutical formulations thereof PFIZER INC. (US) 1980-07-23 EP disclosed
US-4211794-A ANTIVIRAL INTERFERON PRODUCTION PFIZER INC. (US) 1980-07-08 US disclosed