SCHEMBL9215850

SCHEMBL9215850

COC1=Cc2cccnc2C(O)(C2CCN(C)CC2)c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD4 P21917 7/20 0.41
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
TNIK Q9UKE5 1/20 0.33
PTAFR P25105 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8878095 0.89 DRD4 (0.39) DRD2DRD4HTR2AMAPK1SMN1; SMN2
SCHEMBL8876923 0.82 FNTA (0.43) DRD2DRD4HTR2AMAPK1SMN1; SMN2
SCHEMBL4457894 0.77 MAPK1 (0.53) DRD2DRD4MAPK1SMN1; SMN2FNTA
SCHEMBL32668926 0.77 MAPK1 (0.53) DRD2DRD4MAPK1SMN1; SMN2FNTA
SCHEMBL8877017 0.75 MAPK1 (0.41) DRD2DRD4HTR2AMAPK1SMN1; SMN2
SCHEMBL7000885 0.73 FNTA (0.45) DRD2DRD4HTR2AMAPK1SMN1; SMN2
SCHEMBL9663354 0.73 MAPK1 (0.34) DRD2DRD4MAPK1SMN1; SMN2FNTA
SCHEMBL7676387 0.69 MAPK1 (0.44) DRD2MAPK1SMN1; SMN2FNTAFNTB
SCHEMBL11608316 0.69 L3MBTL1 (0.43) DRD2DRD4MAPK1SMN1; SMN2TP53
SCHEMBL9663359 0.69 SMN1; SMN2 (0.36) DRD2DRD4MAPK1SMN1; SMN2FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535152-B1 Bis-benzo or benzopyrido cyclo hepta piperidene, piperidylene and piperazine compounds as PAF antagonists and compositions thereof. SCHERING CORP (US) 1995-08-09 EP disclosed
US-5422351-A Antiallergens; antiinflammatory agents SCHERING CORPORATION (US) 1995-06-06 US disclosed
EP-0396083-B1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORP (US) 1994-11-30 EP disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
US-5151423-A Antiinflammatory agents or antiallergens SCHERING CORPORATION (US) 1992-09-29 US disclosed
EP-0288640-B1 6,11-Dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta-[1,2-b]pyridines and compositions and methods of use SCHERING CORPORATION (US) 1992-09-09 EP disclosed
EP-0471750-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1992-02-26 EP disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 WO disclosed
WO-1990013548-A1 HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1990-11-15 WO disclosed
EP-0396083-A1 Heterocyclic N-oxide derivatives of substituted benzo[5,6]cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1990-11-07 EP disclosed
US-4804666-A ANTIHISTAMINES SCHERING CORPORATION (US) 1989-02-14 US disclosed
EP-0288640-A1 6,11-Dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta-[1,2-b]pyridines and compositions and methods of use SCHERING CORPORATION (US) 1988-11-02 EP disclosed