SCHEMBL4734946

SCHEMBL4734946

CCN(c1cccc(CN(C(=O)c2ccco2)c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
ALDH1A1 P00352 8/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4738981 0.85 LMNA (0.41) LMNAOPRM1
SCHEMBL3821794 0.83 OPRM1 (0.39) LMNAALDH1A1TSHRMAPTNPSR1
SCHEMBL3059109 0.82 ACHE (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL4737099 0.82 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3064216 0.82 ACHE (0.39) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL4733711 0.82 LMNA (0.39) LMNAALDH1A1MAPTNPSR1KDM4E
SCHEMBL3064159 0.81 CHRM1 (0.42) MEN1KMT2A
SCHEMBL3819363 0.81 ATM (0.39) LMNAOPRM1
SCHEMBL3819801 0.78 ATM (0.40) MEN1KMT2AOPRM1
SCHEMBL3819194 0.78 ATM (0.40) ALDH1A1TSHRMEN1KMT2AKDM4E

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed