SCHEMBL8312005

SCHEMBL8312005

O=C1Cc2c(ccc3c2OC(CNCc2ccccc2)CC3)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 1.00
DRD4 P21917 15/20 1.00
DRD3 P35462 15/20 1.00
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
DRD1 P21728 2/20 0.50
DRD5 P21918 2/20 0.50

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
SCHEMBL8314007 0.90 DRD2 (0.81) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8314369 0.90 DRD2 (0.81) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8312627 0.90 DRD2 (0.81) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8313970 0.87 DRD2 (0.77) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8314765 0.81 DRD2 (0.68) DRD2DRD4DRD3NFKB1NFKB2
Aplindore SCHEMBL3192098 0.81 DRD2 (0.68) DRD2DRD4DRD3
Aplindore SCHEMBL29359212 0.81 DRD2 (0.68) DRD2DRD4DRD3
Aplindore SCHEMBL119499 0.81 DRD2 (0.68) DRD2DRD4DRD3
SCHEMBL8045568 0.79 NFKB1 (0.68) DRD2DRD4DRD3NFKB1NFKB2
SCHEMBL8317510 0.78 DRD2 (0.64) DRD2DRD4DRD3

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
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP claimed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP claimed
JP-9169764-A None JP disclosed
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
US-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
JP-H09169764-A 2-(AMINOMETHYL)-3,4,7,9-TETRAHYDRO-2H-PYRANO(2,3-E) INDOL-8-ONE AND DERIVATIVE OF THE SAME AMERICAN HOME PROD CORP 1997-06-30 JP disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed