SCHEMBL21281172

SCHEMBL21281172

Cc1nc2cccc(OC[C@@H](C)NC(=O)c3cccc4c3OCCO4)c2c(N)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ MTNR1A P48039 4/20 0.35
▸ TAS2R8 Q9NYW2 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ HTR4 Q13639 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CXCR2 P25025 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
SCHEMBL621135 1.00 CTNNB1 (0.37) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL621134 1.00 CTNNB1 (0.37) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL15605542 0.94 HPGD (0.35) TAS2R8SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL19901688 0.93 CTNNB1 (0.38) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL619100 0.92 CTNNB1 (0.36) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL619099 0.92 CTNNB1 (0.36) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL31670277 0.91 CTNNB1 (0.35) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL620544 0.91 CTNNB1 (0.36) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL620543 0.91 CTNNB1 (0.36) CTNNB1WNT3AMTNR1ATAS2R8PTGER3
SCHEMBL619807 0.85 NPC1 (0.42) SMN1; SMN2MEN1KMT2AKDM4EHSD17B10

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-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 — — EP disclosed
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