SCHEMBL7296331

SCHEMBL7296331

O=c1ccc2ccccc2n1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.54
OPRK1 P41145 2/20 0.54
OPRL1 P41146 2/20 0.54
CHRM2 P08172 3/20 0.48
CHRM3 P20309 3/20 0.48
HTR6 P50406 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCD Q05655 1/20 0.44
CAMK2B Q13554 1/20 0.44
CAMK2G Q13555 1/20 0.44
CAMK2D Q13557 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL7295422 0.92 OPRM1 (0.63) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7289653 0.83 ACHE (0.45) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7296315 0.81 OPRM1 (0.60) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7297914 0.81 OPRM1 (0.58) OPRM1OPRK1OPRL1CHRM2DRD2
Hydrochloric Acid SCHEMBL7286101 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1CHRM2CHRM3
SCHEMBL8531462 0.80 KDM4E (0.48) OPRM1OPRK1OPRL1CHRM2CHRM3
SCHEMBL7296367 0.79 OPRM1 (0.57) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7287429 0.79 OPRM1 (0.57) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL1054426 0.79 SIGMAR1 (0.50) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL11223608 0.79 OPRM1 (0.86) OPRM1OPRK1OPRL1DRD4AKT1

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 5 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-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