SCHEMBL7296367

SCHEMBL7296367

O=c1ccc2cc(F)c(F)cc2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.57
OPRK1 P41145 1/20 0.57
OPRL1 P41146 1/20 0.57
DRD2 P14416 6/20 0.49
DRD4 P21917 6/20 0.49
DRD3 P35462 6/20 0.49
C5AR1 P21730 1/20 0.48
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
CHRM1 P11229 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
SCHEMBL7297641 0.87 ALDH1A1 (0.55) OPRM1OPRK1OPRL1DRD2DRD4
Hydrochloric Acid SCHEMBL7286101 0.87 OPRM1 (0.56) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7295422 0.86 OPRM1 (0.63) OPRM1OPRK1OPRL1DRD2DRD4
Hydrochloric Acid SCHEMBL8824510 0.86 ALDH1A1 (0.54) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL27297028 0.84 OPRM1 (0.55) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7297914 0.83 OPRM1 (0.58) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7296315 0.83 OPRM1 (0.60) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7285183 0.81 OPRM1 (0.52) OPRM1OPRK1OPRL1DRD2DRD4
Hydrochloric Acid SCHEMBL7297984 0.81 DRD2 (0.54) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7287429 0.81 OPRM1 (0.57) OPRM1OPRK1OPRL1DRD2DRD4

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
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-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP 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