SCHEMBL14730224

SCHEMBL14730224

CCN(C(=O)c1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nn[nH]n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.35
NPY5R Q15761 4/20 0.34
RET P07949 5/20 0.32
KDM1A O60341 4/20 0.32
HDAC6 Q9UBN7 3/20 0.32
CCR5 P51681 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL14730269 0.90 NTRK1 (0.37) NTRK1NPY5RRETCCR5EIF2AK4
SCHEMBL14730211 0.89 NTRK1 (0.36) NTRK1NPY5RRETKDM1AHDAC6
SCHEMBL14723138 0.88 USP30 (0.41) NTRK1NPY5RRET
SCHEMBL14723139 0.88 USP30 (0.41) NTRK1NPY5RRET
SCHEMBL12064703 0.86 MCHR1 (0.37) NTRK1RETKDM1AHDAC6
SCHEMBL14730266 0.86 GPR119 (0.36) NTRK1TACR3
SCHEMBL470564 0.85 NTRK1 (0.36) NTRK1NPY5RRET
SCHEMBL14730318 0.85 NTRK1 (0.34) NTRK1NPY5RHDAC6CCR5EIF2AK4
SCHEMBL14722527 0.84 PDE4B (0.41) NTRK1NPY5RCCR5
SCHEMBL14730243 0.83 GPR119 (0.36) NTRK1

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-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed