SCHEMBL731968

SCHEMBL731968

CC1[C@@H](C(=O)O)[C@H](c2ccc(Cl)cn2)CN1c1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.32
PANK3 Q9H999 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL2307075 0.84 LMNA (0.45) LMNAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL1945899 0.82 PDE10A (0.34) HTTSMN1; SMN2
SCHEMBL733359 0.82 PDE10A (0.34) HTTSMN1; SMN2
SCHEMBL733746 0.82 SMO (0.33)
SCHEMBL1947125 0.81 RXFP1 (0.39) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4242136 0.76 LMNA (0.47) LMNAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2307986 0.75 PANK3 (0.42) LMNAHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2304480 0.75 P2RX7 (0.38) LMNAHTTKMT2AMEN1NOTUM
SCHEMBL734283 0.73 SCD5 (0.41) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL731967 0.71 KMT2A (0.51) LMNAHTTKMT2AMEN1SMN1; SMN2

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