SCHEMBL6993629

SCHEMBL6993629

Clc1ccc2c(c1)SCc1cccnc1C2=C1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.69
MEN1 O00255 1/20 0.69
LMNA P02545 1/20 0.69
ADRB2 P07550 1/20 0.69
CHRM2 P08172 1/20 0.69
CHRM4 P08173 1/20 0.69
ABCB1 P08183 1/20 0.69
HTR1A P08908 1/20 0.69
CHRM5 P08912 1/20 0.69
ADRA2A P08913 1/20 0.69
CHRM1 P11229 1/20 0.69
DRD2 P14416 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
CHRM3 P20309 1/20 0.69
DRD1 P21728 1/20 0.69
TBXA2R P21731 1/20 0.69
DRD4 P21917 1/20 0.69
PTGS1 P23219 1/20 0.69
SLC6A2 P23975 1/20 0.69

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
SCHEMBL6996008 0.85 FNTA (0.71) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL9207035 0.84 FNTA (0.58) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL6995016 0.84 FNTA (0.52) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL29390260 0.82 HRH1 (1.00) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL4425 0.82 HRH1 (1.00) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL29371361 0.82 HRH1 (1.00) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL5198706 0.81 HRH1 (0.97) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL4574215 0.81 HRH1 (0.97) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL5200429 0.81 HRH1 (0.97) HRH1MEN1LMNAADRB2CHRM2
Desloratadine SCHEMBL5200118 0.81 HRH1 (0.97) HRH1MEN1LMNAADRB2CHRM2

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-1021448-B1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORP (US) 2003-05-02 EP disclosed
US-6130229-A Tricyclic compounds having activity as RAS-FPT inhibitors SCHERING CORPORATION (US) 2000-10-10 US disclosed
EP-1021448-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 2000-07-26 EP disclosed
WO-1998015556-A1 TRICYCLIC COMPOUNDS HAVING ACTIVITY AS Ras-FPT INHIBITORS SCHERING CORPORATION (US) 1998-04-16 WO 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-0341860-B1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORP (US) 1994-07-13 EP disclosed
EP-0524784-A1 Benzopyrido piperidylidene compounds as PAF antagonists SCHERING CORPORATION (US) 1993-01-27 EP disclosed
US-5104876-A Antiallergens, antiinflammatory agent SCHERING CORPORATION 1992-04-14 US disclosed
EP-0411048-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1991-02-06 EP disclosed
EP-0341860-A1 Benzopyrido piperidine, piperidylidene and piperazine compounds, compositions, methods of manufacture and methods of use SCHERING CORPORATION (US) 1989-11-15 EP disclosed
WO-1989010369-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1989-11-02 WO disclosed