SCHEMBL8877618

SCHEMBL8877618

O=C1C2=C(C=CCN2)CCc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.42
METAP1 P53582 1/20 0.41
TYMS P04818 1/20 0.40
SRD5A2 P31213 2/20 0.39
HTT P42858 1/20 0.38
PARP10 Q53GL7 2/20 0.37
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
CYP11B1 P15538 7/20 0.36
CYP11B2 P19099 7/20 0.36
CYP19A1 P11511 6/20 0.36
S100A4 P26447 1/20 0.35
PARP11 Q9NR21 1/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL7595901 0.83 SRD5A1 (0.42) SRD5A1PARP10PARP1CYP11B1CYP11B2
SCHEMBL9591939 0.80 PNMT (0.39)
SCHEMBL9591164 0.80 SLC11A2 (0.41) CYP11B1CYP11B2CYP19A1DRD2HTR2A
SCHEMBL9127133 0.76 CXCL12 (0.38) METAP1PARP10F7PARP1F3
SCHEMBL8876795 0.75 PARP1 (0.47) SRD5A1TYMSPARP10PARP1
SCHEMBL2601324 0.75 METAP1 (0.60) SRD5A1METAP1TYMSSRD5A2HTT
SCHEMBL10431015 0.71 FNTA (0.53) HRH1
SCHEMBL6054738 0.70 SLC6A15 (0.61) MEN1LMNACHRM2ABCB1CHRM3
SCHEMBL2312578 0.67 AKR1B1 (0.58) SRD5A1METAP1SRD5A2HTTCYP19A1
SCHEMBL4135475 0.67 CES1 (0.61) SRD5A1METAP1SRD5A2HTTS100A4

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
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
US-5231101-A Antihistamines SS PHARMACEUTICAL CO., LTD. (JP) 1993-07-27 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-0495484-A1 Novel benzo [5,6] cyclohepta [1,2-b] pyridine derivatives and antiallergic agents comprising same SS PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed
US-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
EP-0330673-A1 BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE SCHERING CORPORATION (US) 1989-09-06 EP disclosed
US-4804666-A ANTIHISTAMINES SCHERING CORPORATION (US) 1989-02-14 US disclosed
WO-1988008423-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) 1988-11-03 WO 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