SCHEMBL623576

SCHEMBL623576

CC(C)C(N)COc1c(N)cccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 2/20 0.54
NFKB1 P19838 2/20 0.54
THPO P40225 1/20 0.54
LMNA P02545 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 1/20 0.38
KCNK3 O14649 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNK2 O95069 1/20 0.38
GBA1 P04062 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 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
SCHEMBL624590 0.88 SCN4A (0.51) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL618470 0.77 SCN4A (0.46) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL618471 0.77 SCN4A (0.46) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15689602 0.72 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2C9TSHRMAOA
SCHEMBL30204941 0.72 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2C9TSHRMAOA
SCHEMBL6271316 0.71 SCN4A (1.00) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6275226 0.71 SCN4A (1.00) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6697801 0.71 SCN4A (1.00) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL11709046 0.69 SCN4A (0.96) SCN4ACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL27990728 0.68 MAP3K7 (0.40) SCN4ACYP1A2CYP3A4CYP2D6NFKB1

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