SCHEMBL6424174

SCHEMBL6424174

c1ccc(CN2CCC(N3CCc4ccccc4C3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.62
ACHE P22303 2/20 0.61
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55
SMO Q99835 1/20 0.53
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
HTR1A P08908 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
CCR3 P51677 1/20 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
SCHEMBL27227674 0.86 CXCR3 (0.49) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL27227657 0.86 MBTD1 (0.53) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL30658416 0.86 MBTD1 (0.53) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL30658348 0.83 CXCR3 (0.55) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL27227668 0.83 CXCR3 (0.55) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL30014821 0.81 CXCR3 (0.50) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL27227659 0.81 CXCR3 (0.50) CXCR3ACHEDRD2DRD4DRD3
SCHEMBL28286738 0.81 SLC18A3 (0.61) CXCR3SMO
SCHEMBL23535598 0.80 SLC18A3 (0.64) ACHEPRMT5WDR77SIGMAR1
SCHEMBL23535599 0.80 SLC18A3 (0.64) ACHEPRMT5WDR77SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed