SCHEMBL8908855

SCHEMBL8908855

O=c1[nH]c2c([nH]c1=O)C(N1CCOCC1)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ACHE P22303 1/20 0.43
TSHR P16473 2/20 0.40
PIM1 P11309 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
APAF1 O14727 2/20 0.35
CDC25B P30305 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL8908933 0.85 HTR2C (0.40) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8908407 0.84 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL2763158 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL14028599 0.81 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL8908279 0.79 RAB9A (0.46) L3MBTL1ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL8908448 0.79 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8909181 0.75 HTR2C (0.49) CYP3A4CYP2C19ALDH1A1KMT2ACYP2D6
SCHEMBL6989242 0.69 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL7212650 0.69 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ACHE
SCHEMBL8907689 0.68 SERPINE1 (0.36) CYP3A4CYP2C9CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 EP claimed
US-5646146-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-07-08 US claimed
EP-0682657-B1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-11-19 EP disclosed
US-5646146-A CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1997-07-08 US disclosed
EP-0682657-A1 9H-INDENO[1,2-b]PYRAZINE-3(4H)-ONES AND 9H-INDENO[1,2-b]PYRAZINE-2,3(1H,4H)-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-11-22 EP disclosed
US-5468748-A Nervous system and psychological disorders; antagonize glycine binding site on N-methylaspartic acid receptor complex NOVO NORDISK A/S (DK) 1995-11-21 US disclosed
WO-1994018175-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-08-18 WO disclosed