SCHEMBL7658718

SCHEMBL7658718

CC(C)(C)c1nc(N2CCCN(CCCCc3nccc(O)n3)CC2)cc(C(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
DRD3 P35462 20/20 0.59

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
SCHEMBL7660493 0.85 DRD2 (0.59) DRD2DRD3
SCHEMBL5899239 0.84 DRD2 (0.59) DRD2DRD3
SCHEMBL4390555 0.81 DRD2 (0.51) DRD2DRD3
SCHEMBL4392571 0.81 DRD2 (0.54) DRD2DRD3
SCHEMBL6600239 0.81 DRD2 (0.66) DRD2DRD3
Abt-925 SCHEMBL1043144 0.80 DRD2 (0.67) DRD2DRD3
Abt-925 SCHEMBL29462266 0.80 DRD2 (0.67) DRD2DRD3
SCHEMBL6601712 0.80 DRD2 (0.68) DRD2DRD3
Fumaric Acid SCHEMBL7658673 0.79 DRD2 (0.59) DRD2DRD3
Thiouracil SCHEMBL1043145 0.78 DRD2 (0.56) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352981-B1 TREAT DISORDERS WHICH RESPOND TO DOPAMINE D.SUB.3 LIGANDS SUCH AS SCHISTOSOMIASIS, SCHIZOPHRENIA, DEPRESSION, NEUROSES OR PSYCHOSES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-6214822-B1 PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed