SCHEMBL17064906

SCHEMBL17064906

CC(=O)C(c1ccccn1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.52
TP53 P04637 1/20 0.47
KDM4E B2RXH2 5/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KCNA5 P22460 3/20 0.41

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
SCHEMBL14873325 0.94 FFAR2 (0.47) FFAR2TP53KDM4ECYP3A4LMNA
SCHEMBL14862133 0.79 FFAR2 (0.48) FFAR2TP53KDM4ELMNASLC6A3
SCHEMBL8532540 0.79 FFAR2 (0.48) FFAR2TP53KDM4ELMNAALDH1A1
SCHEMBL5331611 0.78 SLC6A2 (0.51) FFAR2TP53KDM4ELMNATSHR
SCHEMBL29207782 0.77 FFAR2 (0.50) FFAR2TP53KDM4ECYP3A4LMNA
SCHEMBL21742332 0.76 SLC6A3 (0.47) FFAR2TP53KDM4ECYP3A4LMNA
SCHEMBL20217621 0.76 ALDH1A1 (0.46) FFAR2TP53KDM4ESLC6A3CYP1A2
SCHEMBL30499277 0.76 FFAR2 (0.44) FFAR2TP53KDM4ELMNATSHR
SCHEMBL14862646 0.75 KDM4E (0.57) FFAR2KDM4ECYP3A4LMNATSHR
SCHEMBL20851460 0.73 TSHR (0.47) FFAR2TP53KDM4ECYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 WO disclosed