SCHEMBL9129177

SCHEMBL9129177

CCCOCC1=CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.38
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL9129304 0.87 QDPR (0.41) QDPRSIGMAR1
SCHEMBL14593825 0.81 QDPR (0.39) QDPRALDH1A1KMT2A
SCHEMBL9129342 0.80 QDPR (0.43) QDPRALDH1A1KMT2A
SCHEMBL9127898 0.77 ADRA2A (0.38) QDPRALDH1A1KMT2A
SCHEMBL9644027 0.76 QDPR (0.39) QDPRSIGMAR1
SCHEMBL7607024 0.75
SCHEMBL9129238 0.74 QDPR (0.39) QDPRALDH1A1KMT2A
SCHEMBL13599361 0.73 QDPR (0.37) QDPRSIGMAR1
SCHEMBL9130285 0.71 QDPR (0.36) QDPRALDH1A1KMT2A
SCHEMBL10752307 0.71 QDPR (0.36) QDPRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5422353-A Alzheimer*s disease, glaucoma treatment BOEHRINGER INGELHEIM KG (DE) 1995-06-06 US disclosed
EP-0325263-B1 TETRAHYDROPYRIDINE DERIVATIVES BOEHRINGER INGELHEIM KG (DE) 1992-09-23 EP disclosed
EP-0325263-A1 Tetrahydropyridine derivatives BOEHRINGER INGELHEIM KG (DE) 1989-07-26 EP disclosed