SCHEMBL7350423

SCHEMBL7350423

CCCCN(C)COCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
ACHE P22303 6/20 0.38
SPHK1 Q9NYA1 1/20 0.38
CES2 O00748 1/20 0.36

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
SCHEMBL7351088 0.95 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2900302 0.93 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7286646 0.89 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5892540 0.82 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7287871 0.81 CES2 (0.36) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9658698 0.80 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19835254 0.80 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19835199 0.80 HTT (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7288091 0.77 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7285766 0.76 S1PR2 (0.40) MEN1KMT2ATHRBHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed