SCHEMBL9382818

SCHEMBL9382818

O=C1OCCCN1C(=O)Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.50
▸ FAAH O00519 3/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9378454 0.90 NAAA (0.60) NAAAFAAHKMT2ASMN1; SMN2NPC1
SCHEMBL2678410 0.78 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL20553753 0.76 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL16416569 0.75 PIK3CD (0.41) NAAAFAAH
SCHEMBL13313066 0.75 GAA (0.51) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL32666095 0.75 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL1668216 0.73 NAAA (0.45) NAAAFAAHKMT2AALDH1A1KDM4E
SCHEMBL28902235 0.72 KMT2A (0.48) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL22450120 0.72 GAA (0.55) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A
SCHEMBL6823988 0.71 GAA (0.61) KMT2ASMN1; SMN2NPC1CHRNA7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401707-B1 Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity DAIICHI SEIYAKU CO (JP) 1994-09-21 — — EP disclosed
US-5232924-A Cardiovascular disorders DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-08-03 — — US disclosed
EP-0401707-A1 Heterocyclic triazin or triazolo compounds having serotonin 2-receptor antagonistic activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 — — EP disclosed
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