SCHEMBL4551561

SCHEMBL4551561

Cc1ncc(Nc2cc(F)cc(N3CCCCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCO2)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 4/20 0.38
PDE4B Q07343 2/20 0.36
SETD2 Q9BYW2 1/20 0.35
FASN P49327 3/20 0.35
LCK P06239 2/20 0.35
MAPK14 Q16539 2/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPK7 Q13164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL4551789 0.99 PDE4B (0.37) RAB9ANPC1MAPTPDE4BSETD2
SCHEMBL4551650 0.90 PDE4B (0.40) RAB9ANPC1MAPTPDE4BSETD2
SCHEMBL5490933 0.90 PDE4B (0.41) RAB9ANPC1MAPTPDE4BSETD2
SCHEMBL4551942 0.87 FAAH (0.31) SETD2
SCHEMBL4565880 0.86 MAPK14 (0.44) PDE4BMAPK14
SCHEMBL5490159 0.86 PDE4B (0.40) MAPTPDE4BLCKMAPK14KDR
SCHEMBL4551772 0.82 PDE4B (0.43) RAB9ANPC1MAPTPDE4BLCK
SCHEMBL4552137 0.81 KCNQ3 (0.46) RAB9ANPC1MAPTSETD2FASN
SCHEMBL4552126 0.80 KCNQ3 (0.46) RAB9ANPC1MAPTSETD2FASN
SCHEMBL5484353 0.79 RAF1 (0.48) MAPK14

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed