SCHEMBL6990645

SCHEMBL6990645

CN1CCC(=C2c3ccccc3CCn3c(C=CC(=O)O)cnc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HTT P42858 2/20 0.49
CYP3A4 P08684 2/20 0.49
HRH1 P35367 7/20 0.46
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
DRD2 P14416 4/20 0.46
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
DRD1 P21728 4/20 0.46
DRD3 P35462 4/20 0.46
HTR7 P34969 3/20 0.46
LMNA P02545 3/20 0.46
HTR3A P46098 3/20 0.46
CHRM4 P08173 3/20 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
SCHEMBL6990642 1.00 MAPK1 (0.52) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL9131650 0.87 HRH1 (0.46) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL6990388 0.87 HRH1 (0.46) MAPK1MEN1MAPTKMT2AHTT
Alcaftadine SCHEMBL29378093 0.85 SETD7 (0.52) MAPK1MEN1MAPTKMT2AHTT
Alcaftadine SCHEMBL1602418 0.85 SETD7 (0.52) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL27528783 0.82 SETD7 (0.43) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL2116710 0.81 SETD7 (0.51) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL2604746 0.79 SETD7 (0.51) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL6990036 0.79 SETD7 (0.48) MAPK1MEN1MAPTKMT2AHTT
SCHEMBL27300170 0.77 SETD7 (0.48) MAPK1MEN1MAPTKMT2AHTT

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