SCHEMBL8876996

SCHEMBL8876996

c1ccc2c(c1)CCc1ccncc1C2=C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SETD7 Q8WTS6 1/20 0.45
HRH1 P35367 8/20 0.45
HRH4 Q9H3N8 6/20 0.45
HTR2C P28335 4/20 0.44
LMNA P02545 3/20 0.44
CHRM2 P08172 3/20 0.44
HTR1A P08908 3/20 0.44
CHRM1 P11229 3/20 0.44
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
ADRA1A P35348 3/20 0.44
OPRK1 P41145 3/20 0.44
HTR2B P41595 3/20 0.44
KCNH2 Q12809 3/20 0.44
ADRB2 P07550 2/20 0.44
ADRA2A P08913 2/20 0.44

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
SCHEMBL31350956 0.85 SETD7 (0.58) FNTAFNTBSETD7HRH1HRH4
SCHEMBL6178102 0.85 SETD7 (0.58) FNTAFNTBSETD7HRH1HRH4
Hydrochloric Acid SCHEMBL9718833 0.84 SETD7 (0.56) FNTAFNTBSETD7HRH1HRH4
SCHEMBL8877537 0.81 SETD7 (0.73) FNTAFNTBSETD7HRH1HRH4
SCHEMBL9165566 0.79 HRH4 (0.52) SETD7HRH1HRH4HTR2CLMNA
SCHEMBL8879478 0.76 SETD7 (0.50) FNTAFNTBSETD7HRH1HTR2C
SCHEMBL13741459 0.76 CYP19A1 (0.50) KMT2ACYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL2127025 0.76 HRH1 (0.71) FNTAFNTBHRH1HRH4HTR2C
SCHEMBL2860109 0.75 SETD7 (0.50) SETD7HRH1HRH4HTR2CLMNA
SCHEMBL9241150 0.74 PTAFR (0.78) FNTAFNTBSETD7HRH1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665726-A ANTIALLERGIC, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1997-09-09 US disclosed
EP-0685476-A1 Benzo(5,6)cycloheptapyridines, compositions and methods of use SCHERING CORPORATION (US) 1995-12-06 EP disclosed
US-5438062-A Antiallergens, antiinflammatory agents SCHERING CORPORATION (US) 1995-08-01 US disclosed
EP-0270818-B1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORP (US) 1994-12-28 EP 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
US-5151423-A Antiinflammatory agents or antiallergens SCHERING CORPORATION (US) 1992-09-29 US disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US 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
EP-0330673-A1 BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1989-09-06 EP disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
WO-1988003138-A1 BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1988-05-05 WO disclosed