SCHEMBL4898114

SCHEMBL4898114

COCC1CC2CCN1CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
GFER P55789 1/20 0.35
CHRNA7 P36544 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 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
SCHEMBL23158212 0.87 CHRNB2 (0.34) CHRNB2CHRNA4PDK1PDK2PDK3
SCHEMBL2578189 0.75 CHRNB2 (0.39) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7753248 0.74 CHRNB2 (0.41) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL11296604 0.73 CHRNB2 (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL22912493 0.70 CYP2D6 (0.32)
SCHEMBL31151644 0.70 CHRNB2 (0.36) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7356670 0.70 BRD4 (0.37) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL9845536 0.70 CHRNB2 (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL173135 0.70
SCHEMBL7417993 0.69 HTT (0.38) CHRNB2CHRNA4GAAALPGGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed