SCHEMBL3879025

SCHEMBL3879025

Cc1cc(C(=O)Nc2cc(CNCCc3ccccc3)ccc2Cl)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 4/20 0.53
PTGS2 P35354 1/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.47
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
GFER P55789 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3959182 0.91 LMNA (0.52) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3957834 0.87 FAAH (0.58) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL3965114 0.85 LMNA (0.55) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3955981 0.83 ALDH1A1 (0.51) CYP1A2CYP2D6CYP2C19NPC1GAA
SCHEMBL3879832 0.83 KDR (0.48) HTTRAB9ASMN1; SMN2TP53MAPT
SCHEMBL3957848 0.82 HDAC1 (0.58) CYP1A2CYP2D6CYP2C19NPC1GAA
SCHEMBL3954526 0.81 MEN1 (0.49) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3963780 0.81 CYP1A2 (0.44) LMNACYP1A2CYP2D6CYP2C19NPC1
SCHEMBL3956050 0.81 KMT2A (0.53) LMNACYP1A2CYP2C19NPC1GAA
SCHEMBL3879023 0.80 NPC1 (0.52) LMNACYP1A2CYP2D6CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP claimed
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP claimed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO claimed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 WO claimed
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 WO disclosed