SCHEMBL3673888

SCHEMBL3673888

NN(C(=O)C(c1cccnc1)N1CCN2CCC[C@H]2C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.69
TACR1 P25103 5/20 0.40
CYP3A4 P08684 7/20 0.38
CYP3A5 P20815 3/20 0.38
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
CCR3 P51677 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PLA2G7 Q13093 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35

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
SCHEMBL3724611 1.00 GHSR (0.69) GHSRTACR1CYP3A4CYP3A5CCR2
SCHEMBL3666109 0.83 GHSR (0.50) GHSRTACR1CYP3A4NPSR1CYP2D6
SCHEMBL3801373 0.83 GHSR (0.50) GHSRTACR1CYP3A4NPSR1CYP2D6
SCHEMBL3740489 0.82 GHSR (0.47) GHSRTACR1
SCHEMBL3743921 0.81 GHSR (1.00) GHSRTACR1CYP3A4CYP3A5CCR2
SCHEMBL3727187 0.81 TACR1 (0.50) GHSRTACR1CYP3A4NPSR1CYP2D6
SCHEMBL3635981 0.81 GHSR (1.00) GHSRTACR1CYP3A4CYP3A5CCR2
SCHEMBL3640133 0.81 GHSR (1.00) GHSRTACR1CYP3A4CYP3A5CCR2
SCHEMBL3741670 0.81 GHSR (1.00) GHSRTACR1CYP3A4CYP3A5CCR2
SCHEMBL3667305 0.81 GHSR (0.47) GHSRTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP claimed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO claimed
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed