SCHEMBL3478464

SCHEMBL3478464

Cc1cccc(C2CCCCN2C(=O)OC(C)(C)C)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.42
UCHL1 P09936 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
RIPK1 Q13546 1/20 0.40
HSD11B1 P28845 1/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25238658 0.89 HSP90AA1 (0.52) LMNAALDH1A1TP53NPSR1HSP90AA1
SCHEMBL20170496 0.85 HSP90AA1 (0.56) LMNAALDH1A1TP53NPSR1HSP90AA1
SCHEMBL31226469 0.83 ALOX5AP (0.45) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL31226409 0.83 ALOX5AP (0.45) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL28454614 0.82 ALOX5AP (0.42) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL30038670 0.82 ALOX5AP (0.42) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL4564195 0.81 RIPK1 (0.48) LMNAALDH1A1NPSR1TSHRMAPT
SCHEMBL2130474 0.81 MEN1 (0.46) LMNAALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL2130465 0.81 MEN1 (0.46) LMNAALDH1A1HSP90AA1HSP90AB1TSHR
SCHEMBL2130464 0.81 MEN1 (0.46) LMNAALDH1A1HSP90AA1HSP90AB1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265600-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009098576-A1 PYRIDINYL AMIDES FOR THE TREATMENT OF CNS AND METABOLIC DISORDERS PFIZER INC. (US) 2009-08-13 WO disclosed