SCHEMBL11284348

SCHEMBL11284348

O=C(/C=C/c1ccoc1)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 7/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAOB P27338 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL11477543 1.00 HCAR2 (0.54) HCAR2ALDH1A1MAPTRAB9AMEN1
SCHEMBL2909561 0.78 KMT2A (0.73) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL2909559 0.78 KMT2A (0.73) ALDH1A1MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10853322 0.76 KMT2A (0.71) ALDH1A1MAPTRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10853332 0.76 KMT2A (0.71) ALDH1A1MAPTRAB9AMEN1KMT2A
Piperazine SCHEMBL28235313 0.76 KMT2A (0.71) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL11479548 0.75 MAPT (0.74) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL11472516 0.75 JUN (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL29188746 0.75 ALDH1A1 (0.74) ALDH1A1RAB9AKMT2ANPC1LMNA
SCHEMBL29913474 0.75 ALDH1A1 (0.74) ALDH1A1RAB9AKMT2ANPC1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP disclosed
US-4189484-A Antihypertensive quinazoline derivatives MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1980-02-19 US disclosed