SCHEMBL7294053

SCHEMBL7294053

O=[C]C1CCCN1C(=O)OCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.50
DPP4 P27487 2/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7287501 0.91 DPP4 (0.47) FKBP1ADPP4
SCHEMBL7286213 0.84 PREP (0.55) SMN1; SMN2
SCHEMBL7286320 0.84 PREP (0.55) SMN1; SMN2
SCHEMBL7294055 0.82 FKBP1A (0.51) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL9769179 0.77 GBA2 (0.47) DPP4SMN1; SMN2
SCHEMBL7172715 0.77 LMNA (0.43) DPP4ALDH1A1SMN1; SMN2
SCHEMBL7222152 0.74 ALDH1A1 (0.58) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL9545141 0.74 DPP4 (0.54) DPP4ALDH1A1
SCHEMBL9662089 0.74 ALDH1A1 (0.60) FKBP1AALDH1A1SMN1; SMN2
SCHEMBL6375414 0.73 KMT2A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 CN disclosed
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