SCHEMBL7288349

SCHEMBL7288349

CCCC=CC=CCCC=C[C]=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
PPARA Q07869 1/20 0.34
PPARG P37231 1/20 0.33
FASN P49327 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31

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
SCHEMBL7288344 1.00 FAAH (0.41) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL7285615 0.90 ALDH1A1 (0.35) FAAHCNR1CNR2ALDH1A1PPARG
SCHEMBL7349561 0.90 ALDH1A1 (0.35) FAAHCNR1CNR2ALDH1A1PPARG
SCHEMBL233666 0.90
SCHEMBL233667 0.90
SCHEMBL7297388 0.88
SCHEMBL7297392 0.88
SCHEMBL3128130 0.86 ALDH1A1 (0.40) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL21838300 0.86 ALDH1A1 (0.40) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL3128133 0.86 ALDH1A1 (0.40) FAAHCNR1CNR2ALDH1A1TSHR

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 7 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed