SCHEMBL3636170

SCHEMBL3636170

COc1ccc(C(C(=O)N(N)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCN3CCC[C@@H]3C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
TACR1 P25103 9/20 0.40
CCR3 P51677 2/20 0.38
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
KDM2B Q8NHM5 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
SCHEMBL3634488 0.86 TACR1 (0.51) GHSRTACR1CCR3TSHR
SCHEMBL3741678 0.82 GHSR (0.61) GHSRTACR1CCR3NPC1TDP1
SCHEMBL3740489 0.81 GHSR (0.47) GHSRTACR1
SCHEMBL3801373 0.81 GHSR (0.50) GHSRTACR1KMT2ACYP3A4CYP2C9
SCHEMBL3667305 0.81 GHSR (0.47) GHSRTACR1
SCHEMBL3666028 0.81 GHSR (0.47) GHSRTACR1
SCHEMBL3638555 0.81 CHRM2 (0.51) NPC1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3666507 0.81 TACR1 (0.45) GHSRTACR1
SCHEMBL3666109 0.78 GHSR (0.50) GHSRTACR1KMT2ACYP3A4CYP2C9
SCHEMBL3673888 0.76 GHSR (0.69) GHSRTACR1CCR3CYP3A4CYP2C9

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