SCHEMBL7288247

SCHEMBL7288247

CCCCC(N)C(C)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
METAP1 P53582 1/20 0.41
SPHK1 Q9NYA1 2/20 0.38
DPP8 Q6V1X1 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.37
SLC15A1 P46059 1/20 0.36
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DNM1 Q05193 2/20 0.36
CYP2D6 P10635 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1556477 0.92 OPRM1 (0.48) OPRM1SPHK1DPP8DPP7ALDH1A1
SCHEMBL9421146 0.90 OPRM1 (0.54) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL10359728 0.90 OPRM1 (0.54) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL3451671 0.90 OPRM1 (0.54) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL11343352 0.90 OPRM1 (0.54) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL22193776 0.90 OPRM1 (0.46) OPRM1METAP1SPHK1DPP8DPP7
SCHEMBL11136212 0.90 OPRM1 (0.46) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL24547712 0.86 METAP1 (0.46) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL19117382 0.86 METAP1 (0.46) OPRM1METAP1SPHK1ALDH1A1TP53
SCHEMBL19577535 0.85 OPRM1 (0.54) OPRM1SPHK1TP53DNM1CYP2D6

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