SCHEMBL13610207

SCHEMBL13610207

CCCCCCCCCCCCCCCCCCCCCCCCCCCCOCC1CNc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.36
CNR2 P34972 1/20 0.34
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
APAF1 O14727 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
NOS1 P29475 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8568800 0.82 MTNR1A (0.49) MTNR1AMTNR1BEPHX2
SCHEMBL8562575 0.80 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1EPHX2CYP1A2
SCHEMBL8562571 0.80 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1EPHX2CYP1A2
SCHEMBL8562578 0.80 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1EPHX2CYP1A2
SCHEMBL13610193 0.78 ALDH1A1 (0.40) MTNR1AALDH1A1TDP1NOS1CYP1A2
SCHEMBL8562991 0.78 MTNR1A (0.50) MTNR1AMTNR1BEPHX2
SCHEMBL8562997 0.78 MTNR1A (0.50) MTNR1AMTNR1BEPHX2
SCHEMBL8561678 0.77 MTNR1A (0.55) MTNR1AMTNR1BEPHX2
SCHEMBL7418105 0.77 MTNR1A (0.55) MTNR1AMTNR1BEPHX2
SCHEMBL18406697 0.77 POLB (0.37) MTNR1AMTNR1BALDH1A1CYP2C19TSHR

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
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed
US-7615641-B2 Long chain aliphatic alcohol derivatives and methods of making and using same SINO PHARMACEUTICALS CORPORATION (CA) 2009-11-10 US disclosed