SCHEMBL9212418

SCHEMBL9212418

C1=C(C2=CCNCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR2C P28335 5/20 0.38
QDPR P09417 3/20 0.37
TYMP P19971 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ELANE P08246 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11246723 0.89 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRHRH3
SCHEMBL21361657 0.83 SIGMAR1 (0.52) SIGMAR1HTR2CQDPRHRH3
SCHEMBL2105114 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL3502363 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL18244172 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL18244171 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL3233362 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL3233355 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL21057468 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3
SCHEMBL11201526 0.79 TYMP (0.41) TYMPELANEJAK2JAK1JAK3

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
EP-0379416-B1 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP claimed
EP-0379416-A2 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-25 EP claimed
EP-0379416-B1 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
EP-0379416-B1 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-03-08 EP disclosed
EP-0379416-A3 AZABICYCLOHEPTENE DERIVATIVES AND THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-09-18 EP disclosed
EP-0379416-A2 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-25 EP disclosed
EP-0379416-A2 Azabicycloheptene derivatives and their salts, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1990-07-25 EP disclosed