SCHEMBL18106918

SCHEMBL18106918

CCCNC(=O)C(C)(C)COc1cccc2nc(C)c(OC(=O)O)c(N)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ SSTR4 P31391 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP3A4 P08684 3/20 0.32
▸ DCPS Q96C86 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SSTR1 P30872 1/20 0.31

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
SCHEMBL621517 0.87 MEN1 (0.38) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL620869 0.83 GABRP (0.41) HTR1ADRD2DRD4KCNH2KDM4E
SCHEMBL619988 0.81 CYP1A2 (0.41) CYP1A2CYP2D6HTR1ADRD2DRD4
SCHEMBL621518 0.80 HTR1A (0.35) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL618802 0.79 MEN1 (0.39) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL18081996 0.79 HAVCR2 (0.34) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL6015536 0.79 KCNH2 (0.39) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL618124 0.79 CYP1A2 (0.40) CYP1A2CYP2D6SSTR4HTR1ADRD2
SCHEMBL618272 0.78 GABRP (0.39) CYP1A2CYP2D6CYP3A4CYP2C9KDM4E
SCHEMBL21281480 0.78 HTR1A (0.33) CYP1A2CYP2D6SSTR4HTR1ADRD2

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
EP-2742026-B1 SWEET FLAVOR MODIFIER SENOMYX INC (US) 2016-10-05 — — EP claimed
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