SCHEMBL9640623

SCHEMBL9640623

CCCCCN1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.70
▸ HRH1 P35367 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ FABP6 P51161 1/20 0.60
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL18029395 0.91 KDM4E (0.65) HRH2HRH1KDM4EALDH1A1ALOX15
SCHEMBL28121975 0.85 FABP6 (0.67) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL31329773 0.85 FABP6 (0.67) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL16980657 0.84 SIGMAR1 (0.72) HRH2HRH1KDM4EALDH1A1SIGMAR1
SCHEMBL3323252 0.83 KDM4E (0.65) KDM4EALDH1A1ALOX15FABP6MAPK1
SCHEMBL10724043 0.82 SIGMAR1 (0.70) HRH2HRH1SIGMAR1
SCHEMBL10723980 0.82 SIGMAR1 (0.70) HRH2HRH1SIGMAR1
SCHEMBL10722011 0.82 SIGMAR1 (0.70) HRH2HRH1SIGMAR1
SCHEMBL18026640 0.82 ALDH1A1 (0.61) HRH2HRH1KDM4EALDH1A1ALOX15
SCHEMBL9763711 0.82 PKM (0.74) KDM4EALDH1A1FABP6MAPK1SMN1; 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-0323303-B1 NICOTINOYL PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1992-08-12 — — EP claimed
US-4880807-A ANTIEPILEPTIC AGENTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1989-11-14 — — US claimed
EP-0323303-A1 Nicotinoyl piperazine derivatives, process for their preparation and their therapeutical use INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1989-07-05 — — EP claimed
EP-0323303-B1 NICOTINOYL PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1992-08-12 — — EP disclosed
US-4880807-A ANTIEPILEPTIC AGENTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1989-11-14 — — US disclosed
US-4880807-A ANTIEPILEPTIC AGENTS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1989-11-14 — — US disclosed
EP-0323303-A1 Nicotinoyl piperazine derivatives, process for their preparation and their therapeutical use INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1989-07-05 — — EP disclosed
EP-0323303-A1 Nicotinoyl piperazine derivatives, process for their preparation and their therapeutical use INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) Société à responsabilité limitée dite: (FR) 1989-07-05 — — EP disclosed
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