SCHEMBL17675447

SCHEMBL17675447

C#CC(C)N1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
KCNA5 P22460 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
GRM5 P41594 1/20 0.31
CTSS P25774 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL8135026 0.77
SCHEMBL65393 0.76 ALDH1A1 (0.43) ALDH1A1KCNA5KMT2ALMNAMAPT
SCHEMBL947453 0.76 SMN1; SMN2 (0.35) ALDH1A1KCNA5KMT2ALMNAMAPT
SCHEMBL17393478 0.76 KCNA5 (0.36) ALDH1A1KCNA5KMT2ALMNAMAPT
SCHEMBL28966918 0.75 FDPS (0.31)
Hydrochloric Acid SCHEMBL27570522 0.74 ALDH1A1 (0.42) ALDH1A1KCNA5KMT2ALMNAMAPT
SCHEMBL19251318 0.73 MC4R (0.38)
SCHEMBL10401326 0.72
SCHEMBL14498534 0.72
SCHEMBL1135561 0.71 MEN1 (0.33) KMT2AMEN1

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
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed