SCHEMBL10345264

SCHEMBL10345264

CCCCCCCCCCCCCCCCCCC(O)C1=NCCN1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 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
SCHEMBL10628299 0.92 FFAR1 (0.40) SPHK1FFAR1MEN1KMT2A
SCHEMBL5617189 0.92 FFAR1 (0.40) SPHK1FFAR1MEN1KMT2A
SCHEMBL6673295 0.92 FFAR1 (0.40) SPHK1FFAR1MEN1KMT2A
SCHEMBL21650618 0.84 NISCH (0.38) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL21226062 0.84 NISCH (0.38) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL18612770 0.84 NISCH (0.38) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL20836039 0.84 NISCH (0.37) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL20836041 0.84 NISCH (0.37) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL3930745 0.84 NISCH (0.37) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL8628056 0.84 NISCH (0.37) NISCHMAOAMAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0111074-B2 LAUNDRY SOFTENING CONCENTRATE Degussa Aktiengesellschaft (DE) 1990-04-18 EP disclosed
EP-0111074-B1 LAUNDRY SOFTENING CONCENTRATE Degussa Aktiengesellschaft (DE) 1987-02-04 EP disclosed