SCHEMBL5488461

SCHEMBL5488461

Cc1ncc(Nc2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(NCC2CCCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.47
S1PR1 P21453 1/20 0.40
KIT P10721 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ITGB3 P05106 2/20 0.38
ITGB1 P05556 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB5 P18084 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE7A Q13946 1/20 0.37
MAPK14 Q16539 2/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL5487264 1.00 CRHR1 (0.47) CRHR1S1PR1KITNPC1RAB9A
SCHEMBL5489508 0.98 CRHR1 (0.49) CRHR1S1PR1KITNPC1RAB9A
SCHEMBL5490596 0.97 CRHR1 (0.50) CRHR1KITNPC1RAB9AMAPT
SCHEMBL5487267 0.91 CRHR1 (0.47) CRHR1S1PR1KITNPC1RAB9A
SCHEMBL5488464 0.91 CRHR1 (0.47) CRHR1S1PR1KITNPC1RAB9A
SCHEMBL5489512 0.88 CRHR1 (0.49) CRHR1KITNPC1RAB9AMAPT
SCHEMBL4541431 0.88 MAPT (0.41) CRHR1NPC1RAB9AMAPTALDH1A1
SCHEMBL4552137 0.88 KCNQ3 (0.46) CRHR1NPC1RAB9AMAPTALDH1A1
SCHEMBL5490598 0.87 CRHR1 (0.50) CRHR1KITNPC1RAB9AMAPT
SCHEMBL4552349 0.87 MAPT (0.40) CRHR1NPC1RAB9AMAPTALDH1A1

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed