SCHEMBL624154

SCHEMBL624154

N#Cc1c(N)cccc1OCCC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.42
IKBKB O14920 10/20 0.42
CHUK O15111 1/20 0.41
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
CTSS P25774 6/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL2414503 0.91 MCHR1 (0.50) MCHR1IKBKBCHUK
SCHEMBL620761 0.88 IKBKB (0.50) IKBKBCHUKSLC6A2SLC6A4SLC6A3
SCHEMBL3813434 0.81 MCHR1 (0.42) MCHR1IKBKBCTSS
SCHEMBL620112 0.79 TEAD1 (0.43) MCHR1CTSSCTSK
SCHEMBL29530213 0.79 KDM4E (0.48) AVPR2AVPR1ACTSSSLC6A2SLC6A4
SCHEMBL2413474 0.78 IKBKB (0.44) MCHR1IKBKBCHUK
SCHEMBL619309 0.76 IKBKB (0.50) IKBKBCHUKSLC6A2SLC6A4
SCHEMBL621380 0.75 MCHR1 (0.51) MCHR1IKBKBCHUK
SCHEMBL620849 0.75 MCHR1 (0.51) MCHR1IKBKBCHUK
SCHEMBL31670291 0.75 KDM4E (0.47)

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