SCHEMBL8876795

SCHEMBL8876795

O=C1C2=C(C=CCN2)CCc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
PARP10 Q53GL7 2/20 0.47
SRD5A1 P18405 2/20 0.42
TYMS P04818 2/20 0.38
MAPK14 Q16539 10/20 0.34
ACHE P22303 1/20 0.34
FABP6 P51161 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.89 SRD5A1 (0.42) PARP1PARP10SRD5A1MAPK14
SCHEMBL8877618 0.75 SRD5A1 (0.42) PARP1PARP10SRD5A1TYMS
SCHEMBL5518824 0.75 PARP1 (0.58) PARP1PARP10SRD5A1TYMSMAPK14
SCHEMBL9591164 0.72 SLC11A2 (0.41)
SCHEMBL9591939 0.72 PNMT (0.39)
SCHEMBL8251126 0.69 MAPK14 (0.55) PARP1PARP10SRD5A1MAPK14TDP1
SCHEMBL4157894 0.67 TDP1 (0.64) PARP1PARP10SRD5A1MAPK14TDP1
SCHEMBL4184575 0.66
SCHEMBL29443089 0.66 PBRM1 (0.59) PARP1PARP10SRD5A1TYMSACHE
SCHEMBL1150109 0.66 PBRM1 (0.59) PARP1PARP10SRD5A1TYMSACHE

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 7 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
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-5089496-A Benzo[5,6]cycloheptapyridine compounds, compositions and method of treating allergies SCHERING CORPORATION (US) 1992-02-18 US disclosed
US-4826853-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1989-05-02 US disclosed
EP-0270818-A1 Benzo(5,6)cycloheptapyridines, compositions and method of use SCHERING CORPORATION (US) 1988-06-15 EP disclosed
US-4659716-A Antihistaminic 8-(halo)-substituted 6,11-dihydro-11-(4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridines SCHERING CORPORATION (US) 1987-04-21 US disclosed