SCHEMBL13665069

SCHEMBL13665069

COCCN(C)C(=O)Cc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(NC(=O)[C@H]3CC[C@H](C(=O)N(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HSD17B10 Q99714 4/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TSHR P16473 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 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
SCHEMBL13665072 0.96 NPC1 (0.42) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665071 0.94 NPC1 (0.41) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665073 0.93 NPC1 (0.42) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665070 0.93 NPC1 (0.41) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13664983 0.92 F10 (0.40) NPC1HSD17B10KMT2AMEN1MAPT
SCHEMBL13665066 0.91 NPC1 (0.44) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665086 0.89 NPC1 (0.44) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665055 0.88 SMN1; SMN2 (0.39) NPC1HSD17B10KMT2AMEN1MAPT
SCHEMBL13665049 0.88 NPC1 (0.44) NPC1RAB9AHSD17B10KMT2ACASP3
SCHEMBL13665056 0.87 HSD17B10 (0.40) NPC1HSD17B10KMT2AMEN1MAPT

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
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
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