SCHEMBL7287501

SCHEMBL7287501

O=[C]C1CCCN1C(=O)OCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
FKBP1A P62942 5/20 0.47
PREP P48147 6/20 0.46
GRIN2B Q13224 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
P2RX4 Q99571 1/20 0.43

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
SCHEMBL7294053 0.91 FKBP1A (0.50) DPP4FKBP1A
SCHEMBL7286213 0.87 PREP (0.55) PREP
SCHEMBL7286320 0.87 PREP (0.55) PREP
SCHEMBL9662089 0.82 ALDH1A1 (0.60) FKBP1APREP
SCHEMBL7359197 0.81 FKBP1A (0.47) DPP4FKBP1APREPGRIN2BP2RX4
SCHEMBL9545141 0.77 DPP4 (0.54) DPP4PREPDPP8DPP9DPP7
SCHEMBL6375414 0.76 KMT2A (0.41) PREP
SCHEMBL5702212 0.76 SMN1; SMN2 (0.49) FKBP1APREPGRIN2BP2RX4
SCHEMBL7875376 0.76 SMN1; SMN2 (0.49) FKBP1APREPGRIN2BP2RX4
SCHEMBL5702226 0.76 SMN1; SMN2 (0.49) FKBP1APREPGRIN2BP2RX4

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