SCHEMBL9045733

SCHEMBL9045733

O=[N+]([O-])c1ccc(C#CCCN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
GRM5 P41594 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR1A P08908 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9045640 0.86 MAPT (0.51) MAPTGAAKDM4EPOLBBCHE
SCHEMBL27738088 0.83 DRD2 (0.63) POLBHTR1ALMNA
SCHEMBL9045494 0.83 DRD2 (0.60) POLBHTR1AKCNH2
SCHEMBL9044375 0.80 DRD2 (0.55) POLBHTR1AKCNH2
SCHEMBL7954746 0.78 MAPT (0.68) MAPTGAAKDM4EPOLBBCHE
SCHEMBL28070725 0.78 HTR1A (0.60) MAPTGAAKDM4EPOLBBCHE
SCHEMBL9044372 0.78 PIK3CA (0.57) POLBHTR1AKCNH2
SCHEMBL1127229 0.76 KMT2A (0.66) MAPTGAAKDM4EPOLBBCHE
SCHEMBL11001791 0.74 POLB (0.64) MAPTGAAKDM4EPOLBACHE
SCHEMBL312815 0.74 KCNH2 (0.59) POLBHTR1AKCNH2

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-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP claimed
EP-0556329-A1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP claimed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO claimed
EP-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP disclosed
US-5270312-A Substituted piperazines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1993-12-14 US disclosed
EP-0556329-A1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS. WARNER LAMBERT CO (US) 1993-08-25 EP disclosed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed