SCHEMBL13066097

SCHEMBL13066097

C[C@@H]([C@H](C)N1CCOCC1)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MGLL Q99685 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
DPP4 P27487 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL22879264 0.88 KCNA5 (0.39) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL18909506 0.88 KCNA5 (0.39) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL10232877 0.88 KCNA5 (0.39) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL24827726 0.87 MC4R (0.36) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL21447274 0.84 ALDH1A1 (0.35) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL22854206 0.84 KCNA5 (0.33) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL23103016 0.84 KCNA5 (0.33) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL29329052 0.84 KCNA5 (0.37) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL21954031 0.81 HRH3 (0.38) KCNA5SMN1; SMN2PKMALDH1A1KMT2A
SCHEMBL57306 0.81

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-9023652-B2 Organometallic sensor device UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2015-05-05 US disclosed
US-20100285602-A1 ORGANOMETALLIC SENSOR DEVICE UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2010-11-11 US disclosed