SCHEMBL23769084

SCHEMBL23769084

C=CCC1COc2ccc(NC(=O)Nc3ccc4cc(C)[nH]c4c3)cc2N1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RIPK1 Q13546 7/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL23769003 0.90 SMN1; SMN2 (0.37) CCR3SMN1; SMN2HTTMEN1MAPT
SCHEMBL23769086 0.89 SMN1; SMN2 (0.37) CCR3SMN1; SMN2HTTMEN1MAPT
SCHEMBL29978520 0.88 SMN1; SMN2 (0.37) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL23769118 0.88 SMN1; SMN2 (0.37) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL29978502 0.77 HTT (0.39) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL25138429 0.77 HTT (0.39) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL23769120 0.76 HTT (0.36) SMN1; SMN2HTTRAB9ANPC1RIPK1
SCHEMBL23769122 0.76 SMN1; SMN2 (0.38) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL29978800 0.76 SMN1; SMN2 (0.38) CCR3SMN1; SMN2HTTRAB9ANPC1
SCHEMBL23769066 0.74 CCR3 (0.36) CCR3SMN1; SMN2HTTNPY1RMAOA

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
WO-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 — — WO disclosed
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