SCHEMBL9044375

SCHEMBL9044375

C(#Cc1cccnc1)CCN1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
DRD3 P35462 3/20 0.55
POLB P06746 1/20 0.52
HTR1A P08908 3/20 0.49
KCNH2 Q12809 1/20 0.49
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.47
HTR7 P34969 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL9044833 0.86 DRD2 (0.55) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL9044372 0.84 PIK3CA (0.57) DRD2DRD4DRD3POLBHTR1A
SCHEMBL27738088 0.82 DRD2 (0.63) DRD2DRD4DRD3POLBHTR1A
SCHEMBL9045494 0.82 DRD2 (0.60) DRD2DRD4DRD3POLBHTR1A
SCHEMBL9045017 0.80 SLC6A2 (0.49) DRD2DRD4DRD3POLBHTR1A
SCHEMBL9045733 0.80 MAPT (0.51) POLBHTR1AKCNH2
SCHEMBL9044624 0.79 DRD4 (0.52) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9044175 0.77 DRD2 (0.56) DRD2DRD4DRD3POLBHTR1A
SCHEMBL9631372 0.77 POLB (0.78) DRD2DRD4DRD3POLBHTR1A
SCHEMBL9046833 0.76 POLB (0.49) DRD2DRD4DRD3POLBHTR1A

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