SCHEMBL7018167

SCHEMBL7018167

Cn1c(CC(=O)Nc2ccc(CCN)cc2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.59
▸ NTRK2 Q16620 14/20 0.58
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADRB1 P08588 1/20 0.50
▸ ADRB3 P13945 1/20 0.50

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
SCHEMBL7018569 0.83 NTRK1 (0.52) NTRK1NTRK2NPC1RAB9AMEN1
SCHEMBL855166 0.77 MAPT (0.77) NPC1GAARAB9ASMN1; SMN2
SCHEMBL15685951 0.76 PIN1 (0.65) GAAMEN1KMT2AADRB1
SCHEMBL10035832 0.76 HDAC6 (0.58) NPC1GAARAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL14736626 0.76 MAPT (0.74) NPC1GAARAB9ASMN1; SMN2
SCHEMBL13649430 0.73 HDAC6 (0.61) NPC1GAARAB9ASMN1; SMN2MEN1
SCHEMBL12880099 0.73 MAPT (0.60) NPC1GAARAB9ASMN1; SMN2MEN1
SCHEMBL14451618 0.72 NPC1 (0.67) NTRK1NTRK2NPC1GAARAB9A
SCHEMBL17933571 0.72 HDAC6 (0.72) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20103468 0.71 NTRK1 (1.00) NTRK1NTRK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 — — EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 — — US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 — — US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 — — EP disclosed
Send feedback