SCHEMBL8908407

SCHEMBL8908407

CN1CCN(C2c3ccccc3-c3[nH]c(=O)c(=O)[nH]c32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA1G O43497 1/20 0.37
PKM P14618 1/20 0.37
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ACHE P22303 1/20 0.36

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) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL8908855 0.84 CYP1A2 (0.44) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL8908448 0.84 ALDH1A1 (0.43) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL8908279 0.81 RAB9A (0.46) ALDH1A1POLBGAACYP2D6SMN1; SMN2
SCHEMBL4248218 0.81 GAA (0.43) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL8909181 0.80 HTR2C (0.49) ALDH1A1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL10859081 0.70 TDP1 (0.46) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL6984238 0.69 CYP1A2 (0.46) ALDH1A1POLBGAALMNACYP1A2
SCHEMBL8907689 0.68 SERPINE1 (0.36) ALDH1A1POLBCYP3A4CYP2D6CYP2C9
SCHEMBL8907884 0.68 S100A4 (0.36) ALDH1A1POLBTSHRSMN1; SMN2

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 8 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-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 claimed
WO-1994018175-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-08-18 WO 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
WO-1994018175-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-08-18 WO disclosed