SCHEMBL8682016

SCHEMBL8682016

CC(N)COc1ccccc1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.54
HTR2B P41595 2/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SCN4A P35499 3/20 0.43
CYP2D6 P10635 3/20 0.43
SLC6A4 P31645 3/20 0.43
KCNH2 Q12809 3/20 0.43
LMNA P02545 2/20 0.43
SCN1A P35498 2/20 0.43

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
SCHEMBL8682019 1.00 MAOA (0.54) MAOAHTR2BHTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL7423104 0.98 MAOA (0.52) MAOAHTR2BHTR1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL7425092 0.98 MAOA (0.52) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL1667585 0.86 HTR1A (0.56) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL27736563 0.83 HTR1A (0.61) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL6456134 0.83 HTR1A (0.61) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL7697256 0.81 HTR1A (0.52) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL7697257 0.81 HTR1A (0.52) MAOAHTR2BHTR1AADRA2AADRA2B
SCHEMBL5517105 0.81 AAK1 (0.45) ALDH1A1CYP2D6CYP3A4KDM4E
SCHEMBL27581075 0.81 SMN1; SMN2 (0.48) MAOAHTR2BHTR1AADRA2AADRA2B

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
US-5811424-A CONTROL OF DOWNY MILDEW, LATE BLIGHT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1998-09-22 US disclosed