SCHEMBL5316723

SCHEMBL5316723

CC(C)N1CCC(NC(=O)c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.59
SMYD3 Q9H7B4 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM5A P29375 1/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 1/20 0.55
ACKR3 P25106 2/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTR4 Q13639 1/20 0.53
F10 P00742 7/20 0.52
HRH3 Q9Y5N1 1/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL25053100 0.85 GRM5 (0.63) GRM5SMYD3ALDH1A1KDM5AKMT2A
SCHEMBL2241357 0.83 GRM5 (0.77) GRM5SMYD3KMT2AKDM4EGAA
SCHEMBL14067296 0.83 GRM5 (0.60) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL5315579 0.82 SMYD3 (0.60) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL8062288 0.81 EPHX2 (0.74) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL14625979 0.81 GRM5 (0.62) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL17132549 0.81 SMYD3 (0.62) GRM5SMYD3ALDH1A1KDM5AKMT2A
SCHEMBL31654067 0.80 GRM5 (0.60) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL356606 0.80 GRM5 (0.60) GRM5SMYD3KDM5AKMT2AKDM4E
SCHEMBL16394406 0.80 GRM5 (0.88) GRM5SMYD3KMT2AKDM4EGAA

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO claimed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed