SCHEMBL5315341

SCHEMBL5315341

O=C(O)NCC1CCN(C[C@H]2CCOC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.42
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
NAMPT P43490 3/20 0.40
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
TACR2 P21452 1/20 0.36
THRB P10828 1/20 0.36
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
PDE8B O95263 1/20 0.36

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
SCHEMBL5317186 1.00 HTR4 (0.42) HTR4CYP2D6CYP3A4NAMPTUBE2M
SCHEMBL5314921 0.91 HTR4 (0.48) HTR4CYP2D6CYP3A4TACR2THRB
SCHEMBL3707639 0.82 CYP2D6 (0.46) CYP2D6NAMPT
SCHEMBL9956855 0.79 CYP2D6 (0.53) CYP2D6NAMPTPDE8B
SCHEMBL16039173 0.75 CYP2D6 (0.44) CYP2D6NAMPT
SCHEMBL5315253 0.73 NCF1 (0.41) HTR4NAMPTUBE2MDCUN1D1
SCHEMBL2053924 0.73 EPHX1 (0.56) CYP2D6
SCHEMBL5316533 0.73 NCF1 (0.41) HTR4NAMPTUBE2MDCUN1D1
SCHEMBL12671 0.71 CHRM5 (0.52) HTR4NAMPT
SCHEMBL3164794 0.71 HTR4 (0.53) HTR4CYP2D6

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-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 WO disclosed