SCHEMBL6625529

SCHEMBL6625529

CC(C#N)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 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
SCHEMBL9679875 1.00 OPRD1 (0.37) OPRD1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL3409567 0.82
SCHEMBL11597630 0.82 TSHR (0.39) TSHR
SCHEMBL20355544 0.77 OPRD1 (0.35) OPRD1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6830731 0.77
SCHEMBL66078 0.77
SCHEMBL3132191 0.76 CHRM2 (0.34) OPRD1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL1135561 0.76 MEN1 (0.33) OPRD1MEN1KMT2ACYP2D6CYP19A1
SCHEMBL3757569 0.76 MEN1 (0.33) OPRD1MEN1KMT2ACYP2D6CYP19A1
SCHEMBL3180035 0.75 ALDH1A1 (0.38) SMN1; SMN2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US claimed
EP-1377968-A2 OPTICAL DATA CARRIER THAT CONTAINS A HETEROCYCLIC AZO DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER Bayer Chemicals AG (DE) 2004-01-07 EP disclosed
EP-1374233-A1 OPTICAL DATA CARRIER THAT CONTAINS A TRIAZACYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER G Bayer Chemicals AG (DE) 2004-01-02 EP disclosed
US-6641889-B2 Optical data storage medium containing a triazacyanine dye as the light-absorbing compound in the information layer BAYER AKTIENGESELLSCHAFT (DE) 2003-11-04 US disclosed
US-20030006516-A1 Optical data storage medium containing a heterocyclic azo dye as the light-absorbing compound in the information layer BAYER AKTIENGESELLSCHAFT (DE) 2003-01-09 US disclosed
US-20020197439-A1 Optical data storage medium containing a triazacyanine dye as the light-absorbing compound in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2002-12-26 US disclosed
WO-2002084656-A1 OPTICAL DATA CARRIER THAT CONTAINS A TRIAZACYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER G BAYER AKTIENGESELLSCHAFT (DE) 2002-10-24 WO disclosed
WO-2002080152-A2 OPTICAL DATA CARRIER THAT CONTAINS A HETEROCYCLIC AZO DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed