SCHEMBL7666451

SCHEMBL7666451

O=C1c2cc(N3CCN(CCC(c4ccccc4)c4ccccc4)CC3)ccc2CN1CC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.48
HTR1A P08908 4/20 0.45
DRD2 P14416 3/20 0.45
DRD5 P21918 3/20 0.45
DRD3 P35462 3/20 0.45
HTR7 P34969 1/20 0.44
CCR5 P51681 3/20 0.42
ACACB O00763 1/20 0.40
GRM5 P41594 1/20 0.40
KCNA3 P22001 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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
SCHEMBL7228869 0.99 MTR (0.48) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7237896 0.98 MTR (0.48) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7229846 0.98 MTR (0.48) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7228637 0.96 MTR (0.49) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7239337 0.92 MTR (0.48) MTRHTR1ADRD2DRD5DRD3
SCHEMBL7235843 0.91 GRM5 (0.48) MTRHTR1ADRD2DRD3GRM5
SCHEMBL7229813 0.90 GRM5 (0.46) MTRHTR1ADRD2DRD3GRM5
SCHEMBL7228877 0.90 GRM5 (0.46) MTRHTR1ADRD2DRD3CCR5
SCHEMBL7239838 0.90 GRM5 (0.46) MTRHTR1ADRD2DRD3CCR5
SCHEMBL7228815 0.87 GRM5 (0.46) MTRHTR1ADRD2DRD5DRD3

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-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 EP disclosed