SCHEMBL6987106

SCHEMBL6987106

CC(C)=CCN1CCC(=C2c3cc(F)ccc3CCn3ccnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 4/20 0.43
HRH1 P35367 2/20 0.38
SIGMAR1 Q99720 4/20 0.34
TMEM97 Q5BJF2 1/20 0.33
KCNH2 Q12809 1/20 0.30

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
SCHEMBL6988078 0.86 SIGMAR1 (0.41) PTAFRHRH1SIGMAR1KCNH2
SCHEMBL5060492 0.83 HRH1 (0.47) PTAFRHRH1KCNH2
SCHEMBL6991398 0.81 PTAFR (0.38) PTAFRHRH1
SCHEMBL5056412 0.74 HRH1 (0.47) PTAFRHRH1KCNH2
SCHEMBL27546512 0.72 PTAFR (0.43) PTAFRHRH1KCNH2
Water SCHEMBL5056711 0.72 PTAFR (0.42) PTAFRHRH1KCNH2
SCHEMBL6990285 0.72 ADRA1A (0.41) PTAFRHRH1SIGMAR1KCNH2
SCHEMBL9129563 0.70 HRH1 (0.41) PTAFRHRH1KCNH2
SCHEMBL27546513 0.69 PTAFR (0.45) PTAFRHRH1KCNH2
SCHEMBL6991281 0.68 HRH1 (0.43) PTAFRHRH1KCNH2

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