SCHEMBL733746

SCHEMBL733746

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.33
PDE10A Q9Y233 2/20 0.32
HRH3 Q9Y5N1 3/20 0.32
TP53 P04637 2/20 0.32
MDM2 Q00987 2/20 0.32
LCAT P04180 2/20 0.30
MAPT P10636 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
SCHEMBL2306880 0.85 NOTUM (0.34) HRH3
SCHEMBL731968 0.82 LMNA (0.42)
SCHEMBL1945899 0.82 PDE10A (0.34) PDE10AHRH3MAPT
SCHEMBL733359 0.82 PDE10A (0.34) PDE10AHRH3MAPT
SCHEMBL4229828 0.78 HRH3 (0.34) SMOHRH3MDM2LCATMAPT
SCHEMBL733745 0.73 HRH3 (0.35) SMOHRH3
SCHEMBL734283 0.71 SCD5 (0.41) MAPT
SCHEMBL733541 0.69 MC4R (0.49)
SCHEMBL733540 0.69 MC4R (0.49)
SCHEMBL733977 0.69 MC4R (0.44)

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