SCHEMBL2986491

SCHEMBL2986491

CNC(C)Cc1ccc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
SLC18A2 Q05940 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC6A4 P31645 3/20 0.39
MAOA P21397 1/20 0.36
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL680597 0.79
SCHEMBL11171308 0.75
SCHEMBL5788278 0.75
SCHEMBL6118139 0.75
SCHEMBL28161895 0.73 MAOA (0.37) MAOA
Iodide SCHEMBL386776 0.72 MAOA (0.39) MAOA
SCHEMBL79201 0.70 MAOA (0.47) MAOA
SCHEMBL6265659 0.70
SCHEMBL10524311 0.70
SCHEMBL8772699 0.70

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-20100184909-A1 CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS HENKEL AG & CO. KGAA (DE) 2010-07-22 US disclosed
EP-2195353-A1 CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS Henkel AG & Co. KGaA (DE) 2010-06-16 EP disclosed
WO-2009043655-A1 CROSSLINKABLE POLYMERS WITH HETEROAROMATIC GROUPS HENKEL AG & CO. KGAA (DE) 2009-04-09 WO disclosed