SCHEMBL6988099

SCHEMBL6988099

Cc1ccc2c(c1)CCn1ccnc1C2=C1CCN(CCc2ccc(O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.42
PTAFR P25105 3/20 0.39
HRH3 Q9Y5N1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
FAAH O00519 1/20 0.33
KCNH2 Q12809 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL6985481 0.82 HRH1 (0.49) HRH1PTAFRKCNH2ADRA1DADRA1A
SCHEMBL7144048 0.80 HRH1 (0.34) HRH1HRH3FAAH
SCHEMBL7139726 0.74 HRH1 (0.38) HRH1PTAFRFAAHKCNH2ADRA1D
SCHEMBL9234626 0.73 HRH1 (0.40) HRH1FAAHKCNH2ADRA1DADRA1A
SCHEMBL6991281 0.72 HRH1 (0.43) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL6989716 0.71 HRH1 (0.50) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL5056412 0.71 HRH1 (0.47) HRH1PTAFRKCNH2ADRA1DADRA1A
Water SCHEMBL5056711 0.71 PTAFR (0.42) HRH1PTAFRHRH3FNTAFNTB
SCHEMBL6995295 0.70 HRH1 (0.43) HRH1PTAFRFNTAFNTBKCNH2
SCHEMBL6988212 0.70 PTAFR (0.47) HRH1PTAFRFNTAFNTBKCNH2

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-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed