SCHEMBL733359

SCHEMBL733359

CC1[C@@H](C(=O)O)[C@H](c2ccc(Cl)cn2)CN1c1ccc(=O)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL1945899 1.00 PDE10A (0.34) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL2307114 0.85 BRD4 (0.42) BRD4BRD2BRD3L3MBTL1HRH3
SCHEMBL731968 0.82 LMNA (0.42) SMN1; SMN2HTT
SCHEMBL733746 0.82 SMO (0.33) PDE10AHRH3MAPT
SCHEMBL3262449 0.79 HRH3 (0.35) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL733502 0.79 HRH3 (0.35) PDE10ABRD4BRD2BRD3L3MBTL1
SCHEMBL1920545 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL14700307 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL733358 0.73 HRH3 (0.35) PDE10AL3MBTL1HRH3
SCHEMBL734283 0.71 SCD5 (0.41) BRD4L3MBTL1HTTMAPT

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
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed