SCHEMBL11565732

SCHEMBL11565732

COC(CCCN)CCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
HTR2A P28223 2/20 0.46
CYP2A6 P11509 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL11568144 1.00 MAOA (0.56) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL11566485 0.93 MAOA (0.55) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL11565795 0.81 ALDH1A1 (0.46) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL11566677 0.81 MAOA (0.62) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL13074081 0.77 MMP12 (0.57) TAAR1
SCHEMBL23070514 0.76 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL133039 0.76 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL7865088 0.76 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL8499165 0.76 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1
SCHEMBL8499157 0.76 MAOA (0.95) MAOAHTR2ACYP2A6SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002721-A2 Process for preparing hydrazines BAYER AG (DE) 1979-07-11 EP disclosed