SCHEMBL6995581

SCHEMBL6995581

Cn1ccc2c1CCn1ccnc1C2=C1CCN(CCn2cccc2C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.57
HTR2A P28223 5/20 0.33
HTR1A P08908 4/20 0.33
DRD2 P14416 4/20 0.33
MAOB P27338 1/20 0.31

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
SCHEMBL6986579 0.90 HRH1 (0.52) HRH1HTR2AHTR1ADRD2
Water SCHEMBL9129109 0.84 HRH1 (0.38) HRH1HTR2AHTR1ADRD2
Water SCHEMBL6988465 0.84 HRH1 (0.38) HRH1HTR2AHTR1ADRD2
SCHEMBL6991699 0.84 HRH1 (0.68) HRH1HTR2AHTR1ADRD2
Water SCHEMBL6994538 0.84 HRH1 (0.62) HRH1HTR2A
SCHEMBL6990349 0.80 HRH1 (0.68) HRH1HTR2AHTR1ADRD2
Water SCHEMBL6988769 0.79 HRH1 (0.59) HRH1
Water SCHEMBL9383772 0.78 HRH1 (0.57) HRH1
SCHEMBL6999312 0.77 HRH1 (0.61) HRH1
SCHEMBL6989903 0.77 HRH1 (0.45) HRH1HTR2AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588859-B1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 EP disclosed
US-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 US disclosed
EP-0588859-A1 Imidazo[1,2-a](pyrrolo, thieno or furano)[3,2-d]azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022553-A1 IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[3,2-d]AZEPINE DERIVATIVES, COMPOSITIONS AND METHODS OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518434-A1 Imidazo(1,2-a)(pyrrolo, thieno or furano)(3,2-d)azepine derivatives, compositions and methods of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed