SCHEMBL622583

SCHEMBL622583

CC(C)(C)N1CCC(COc2cccc(N)c2C#N)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.38
DCPS Q96C86 3/20 0.36
RIPK1 Q13546 1/20 0.35
MCHR1 Q99705 3/20 0.34
IKBKB O14920 2/20 0.33
CHUK O15111 1/20 0.33
TTR P02766 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM2 Q14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR4 Q13639 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL622555 0.93 MCHR1 (0.38) RBP4DCPSRIPK1MCHR1IKBKB
SCHEMBL623134 0.93 DCPS (0.40) RBP4DCPSRIPK1MCHR1IKBKB
SCHEMBL3813434 0.86 MCHR1 (0.42) DCPSMCHR1IKBKB
SCHEMBL31670305 0.80 ALOX5AP (0.47) RBP4
SCHEMBL621284 0.80 ALOX5AP (0.47) RBP4
SCHEMBL2413474 0.79 IKBKB (0.44) DCPSRIPK1MCHR1IKBKBCHUK
SCHEMBL21113729 0.78 RBP4 (0.46) RBP4DCPSTTR
SCHEMBL621748 0.78 RBP4 (0.46) RBP4DCPSTTR
SCHEMBL618608 0.78 RBP4 (0.48) RBP4DCPS
SCHEMBL621006 0.77 KDM4E (0.48)

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-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed