SCHEMBL14722979

SCHEMBL14722979

CC(C)(C)OC(=O)NC1CN(c2ncc(C(=O)O)cn2)CC1c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.41
RBP4 P02753 1/20 0.38
F2R P25116 1/20 0.36
NPY5R Q15761 4/20 0.35
NR1H2 P55055 1/20 0.35
MC4R P32245 1/20 0.35
RET P07949 2/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
DPP4 P27487 1/20 0.35
KDM1A O60341 1/20 0.35
HDAC3 O15379 1/20 0.35
CYP3A4 P08684 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL6128115 1.00 NTRK1 (0.41) NTRK1RBP4F2RNPY5RNR1H2
SCHEMBL14723522 0.92 NR1H2 (0.42) NTRK1F2RNPY5RNR1H2RET
SCHEMBL470735 0.91 NTRK1 (0.42) NTRK1F2RNPY5RNR1H2RET
SCHEMBL610993 0.90 NTRK1 (0.40) NTRK1F2RNPY5RNR1H2RET
SCHEMBL1724455 0.90 NTRK1 (0.40) NTRK1F2RNPY5RNR1H2RET
SCHEMBL457724 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL610961 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL458712 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL457722 0.90 NTRK1 (0.41) NTRK1F2RNPY5RNR1H2RET
SCHEMBL470570 0.90 NTRK1 (0.43) NTRK1F2RNPY5RNR1H2RET

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