SCHEMBL8797134

SCHEMBL8797134

C1=Cc2ccccc2C(=C2CCN(Cc3ccncc3)CC2)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.61
HRH1 P35367 4/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD1 P21728 1/20 0.54
TBXA2R P21731 1/20 0.54

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
Hydrochloric Acid SCHEMBL7217786 0.99 SETD7 (0.59) SETD7HRH1TSHRTP53CYP2D6
SCHEMBL9035852 0.88 SETD7 (0.68) SETD7HRH1TSHRTP53CYP2D6
Hydrochloric Acid SCHEMBL7213868 0.87 SETD7 (0.66) SETD7HRH1TSHRTP53CYP2D6
SCHEMBL8797112 0.85 SETD7 (0.57) SETD7HRH1TSHRTP53CYP2D6
SCHEMBL9034769 0.84 SETD7 (0.62) SETD7HRH1TSHRTP53CYP2D6
SCHEMBL9215703 0.84 FNTA (0.63) SETD7HRH1TSHRCHRM2HTR1A
SCHEMBL9036519 0.84 SETD7 (0.67) SETD7HRH1TSHRTP53CYP2D6
Hydrochloric Acid SCHEMBL7217793 0.84 SETD7 (0.56) SETD7HRH1TSHRTP53CYP2D6
SCHEMBL9034527 0.83 SETD7 (0.61) SETD7HRH1TSHRTP53CYP2D6
Hydrochloric Acid SCHEMBL7218936 0.83 SETD7 (0.65) SETD7HRH1TSHRTP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed
EP-0642514-B1 BRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE SCHERING CORP (US) 1997-05-21 EP disclosed
US-5561117-A TREATING ASTHMA, ALLERGIES AND INFLAMMATION SCHERING CORPORATION (US) 1996-10-01 US disclosed
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-5430032-A Treating asthma, allergy, inflammation SCHERING CORPORATION (US) 1995-07-04 US disclosed
US-5422351-A Antiallergens; antiinflammatory agents SCHERING CORPORATION (US) 1995-06-06 US disclosed
EP-0642514-A1 BRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE. SCHERING CORP (US) 1995-03-15 EP disclosed
EP-0595989-A1 BENZOPYRIDO PIPERYLIDENE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1994-05-11 EP disclosed
WO-1993020080-A1 BRIDGED BIS-ARYL CARBINOL DERIVATIVES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1993-10-14 WO disclosed
WO-1993002081-A1 NOVEL BENZOPYRIDO PIPERYLIDENE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1993-02-04 WO disclosed
EP-0524784-A1 Benzopyrido piperidylidene compounds as PAF antagonists SCHERING CORPORATION (US) 1993-01-27 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