SCHEMBL6281910

SCHEMBL6281910

O=C1C(c2ccccc2)Cc2ccccc2N1CCCCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.53
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
DRD4 P21917 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
HTR1A P08908 5/20 0.46
DRD5 P21918 1/20 0.46

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
SCHEMBL6281882 0.84 F10 (0.70) HTR7DRD3CHRM2CHRM1F2
SCHEMBL11311320 0.83 DRD2 (0.64) HTR7DRD2DRD3DRD4CHRM2
SCHEMBL7124476 0.77 F10 (0.71) F2F10PLGPRSS1
SCHEMBL3805479 0.77 HTR7 (0.72) HTR7DRD2DRD3HTR1ADRD5
SCHEMBL10692391 0.76 CACNA1S (0.57) HTR7DRD2DRD3DRD4CHRM2
SCHEMBL7115235 0.76 F10 (0.70) F2F10PLGPRSS1
SCHEMBL13305302 0.74 HTR2A (0.60) HTR7DRD2DRD3DRD4CHRM2
SCHEMBL6283170 0.74 F10 (0.72) HTR7F2F10PLGPRSS1
SCHEMBL6281661 0.74 CACNA1S (0.53) HTR7DRD2DRD3DRD4F10
SCHEMBL7119837 0.73 F10 (0.58) HTR7DRD2DRD3DRD4F2

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed