SCHEMBL18192096

SCHEMBL18192096

CCn1nccc1[C@H]1CCCC1O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
PDE2A O00408 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 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
SCHEMBL15465508 1.00 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL15465123 1.00 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL15464699 1.00 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL15465168 0.97 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL18192145 0.97 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL15464942 0.97 ALDH1A1 (0.32) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL17454964 0.83 ALDH1A1 (0.30) ALDH1A1PDE2A
SCHEMBL20485796 0.81 AKT1 (0.34) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL20485804 0.81 AKT1 (0.34) ALDH1A1PDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL16290213 0.79 SCN9A (0.36)

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-2974730-B1 DRUG FOR RESPIRATORY DISEASES DAIICHI SANKYO CO LTD (JP) 2018-01-31 EP disclosed
EP-2813491-B1 CYCLOALKANE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-02 EP disclosed