SCHEMBL8886643

SCHEMBL8886643

C=C(c1ccnn1Cc1ccc(OC)cc1)c1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.51
MCHR1 Q99705 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CMA1 P23946 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL2456576 0.84 NPBWR1 (0.53) NPBWR1MCHR1CMA1
SCHEMBL29483303 0.82 NPBWR1 (0.52) NPBWR1MCHR1ALOX15CMA1
SCHEMBL6603633 0.82 NPBWR1 (0.52) NPBWR1MCHR1KDM4EALOX15
SCHEMBL13724241 0.81 NPBWR1 (0.56) NPBWR1MCHR1KDM4EALDH1A1MAPT
SCHEMBL20745582 0.80 NPBWR1 (0.51) NPBWR1MCHR1KDM4EALDH1A1MAPT
SCHEMBL2050022 0.79 UCHL1 (0.57) NPBWR1MCHR1KDM4EALDH1A1MAPT
SCHEMBL27884414 0.79 NPBWR1 (0.54) NPBWR1MCHR1KDM4EALDH1A1MAPT
SCHEMBL1048024 0.78 NPBWR1 (0.48) NPBWR1MCHR1ALDH1A1SMN1; SMN2
SCHEMBL18399187 0.78 KDM4E (0.56) NPBWR1MCHR1KDM4EALDH1A1MAPT
SCHEMBL4680080 0.77 NPBWR1 (0.47) NPBWR1MCHR1MAPT

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-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed