SCHEMBL623134

SCHEMBL623134

CC(C)(C)N1CCC(COc2cccc(N)c2C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 5/20 0.40
RIPK1 Q13546 1/20 0.39
MCHR1 Q99705 3/20 0.38
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
RBP4 P02753 1/20 0.34
F2 P00734 1/20 0.34
AXL P30530 1/20 0.34
HTR2C P28335 2/20 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
SCHEMBL622583 0.93 RBP4 (0.38) DCPSRIPK1MCHR1IKBKBCHUK
SCHEMBL3813434 0.91 MCHR1 (0.42) DCPSMCHR1IKBKB
SCHEMBL622555 0.86 MCHR1 (0.38) DCPSRIPK1MCHR1IKBKBRBP4
SCHEMBL2413474 0.84 IKBKB (0.44) DCPSRIPK1MCHR1IKBKBCHUK
SCHEMBL621380 0.82 MCHR1 (0.51) DCPSMCHR1IKBKBCHUKHTR2C
SCHEMBL620849 0.82 MCHR1 (0.51) MCHR1IKBKBCHUKHTR2C
SCHEMBL31670302 0.81 KDM4E (0.48)
SCHEMBL621006 0.81 KDM4E (0.48)
SCHEMBL3813432 0.81 SIGMAR1 (0.39) DCPSRIPK1SIGMAR1F2
SCHEMBL618003 0.80 MCHR1 (0.52) MCHR1IKBKBCHUKHTR2C

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