SCHEMBL9207673

SCHEMBL9207673

COc1cc2c(cc1OC)C(=O)N(CCCC1CCCNC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA1B P35368 1/20 0.45
DRD3 P35462 4/20 0.44
DRD4 P21917 3/20 0.44
HTR1A P08908 2/20 0.44
ABCB1 P08183 2/20 0.41
HCN4 Q9Y3Q4 2/20 0.40
CHRM2 P08172 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9204844 0.94 MEN1 (0.49) MEN1KMT2AADRA1BDRD3DRD4
SCHEMBL9216049 0.87 MEN1 (0.48) MEN1KMT2AADRA1BDRD3DRD4
SCHEMBL9208378 0.84 MEN1 (0.47) MEN1KMT2AADRA1BDRD2ALOX15
SCHEMBL9216770 0.83 MEN1 (0.46) MEN1KMT2AADRA1BDRD2ALOX15
SCHEMBL9207883 0.82 NAAA (0.40) ITGB3ITGA2B
SCHEMBL9209711 0.81 MEN1 (0.50) MEN1KMT2AADRA1BITGB3ITGA2B
SCHEMBL9212186 0.79 SMN1; SMN2 (0.48) DRD3HTR1AHCN4CHRM2SLC6A4
SCHEMBL9207494 0.78 PARP1 (0.48) MEN1KMT2ADRD2
SCHEMBL9214236 0.76 MEN1 (0.50) MEN1KMT2AADRA1BDRD3DRD4
SCHEMBL9204902 0.76 SMN1; SMN2 (0.47) DRD3DRD4HTR1AHCN4CHRM2

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
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed