SCHEMBL3355983

SCHEMBL3355983

C1=CC2CCCCN2CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.33
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL11454847 0.93 ALDH1A1 (0.34) OPRL1ALDH1A1HPGDAPOBEC3G
SCHEMBL27811174 0.91 ALDH1A1 (0.33) OPRL1ALDH1A1HPGDAPOBEC3GOPRM1
SCHEMBL7369318 0.91 CYP2D6 (0.31) OPRL1CYP2D6MEN1KMT2ALMNA
SCHEMBL2910041 0.86 L3MBTL3 (0.31)
SCHEMBL7008001 0.84
SCHEMBL9789988 0.79 L3MBTL1 (0.41) OPRL1ALDH1A1HPGDOPRM1OPRD1
SCHEMBL15967645 0.79
SCHEMBL6543647 0.77 L3MBTL1 (0.42) ALDH1A1HPGDAPOBEC3G
SCHEMBL206897 0.76 CYP2D6 (0.33) CYP2D6MEN1KMT2ALMNA
SCHEMBL4159670 0.76 CYP2D6 (0.33) CYP2D6MEN1KMT2ALMNA

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
WO-2010066349-A1 USE OF 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
WO-2010066354-A1 USE OF 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
WO-2010066355-A1 USE OF 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
EP-2178899-A1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2170925-A2 17ß -CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-07 EP disclosed
EP-2167525-A2 17ß-CYANO-19-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
WO-2008152112-A2 17ß-CYANO-19-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008151746-A2 17β-CYANO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008151745-A1 17BETA-CYANO-18A-HOMO-19-NOR-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-0218541-A2 3-Vinyl and 3-ethinyl-beta-carboline derivatives, their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed
EP-0070804-B1 FLUORALKOXY-AMINOPYRIMIDINES AND DITTO TRIAZINES CIBA-GEIGY AG (CH) 1987-04-08 EP disclosed
EP-0070804-A2 Fluoralkoxy-aminopyrimidines and ditto triazines CIBA-GEIGY AG (CH) 1983-01-26 EP disclosed
EP-0025017-A1 Polyazathia compounds, process for their preparation, pharmaceutical preparations containing such compounds and use of the latter CIBA-GEIGY AG (CH) 1981-03-11 EP disclosed