SCHEMBL9212186

SCHEMBL9212186

COc1cc2c(cc1OC)CC(=O)N(CC1CCCNC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HCN4 Q9Y3Q4 3/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD2 P14416 1/20 0.41
EHMT2 Q96KQ7 2/20 0.40
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
RAB9A P51151 1/20 0.38
PARP1 P09874 1/20 0.38
ROCK2 O75116 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
SCHEMBL9204902 0.97 SMN1; SMN2 (0.47) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9216049 0.87 MEN1 (0.48) HTR1ADRD3DRD2HTR2CHTR2B
SCHEMBL9215737 0.84 DRD2 (0.40) HCN4CHRM2HTR1ASLC6A4DRD3
SCHEMBL9208378 0.83 MEN1 (0.47) ALOX15DRD2HTR2CHTR2BHTR2A
SCHEMBL9216770 0.83 MEN1 (0.46) ALOX15DRD2HTR2CHTR2BHTR2A
SCHEMBL9740567 0.82 DRD2 (0.41) KCNH2DRD2PARP1EED
SCHEMBL9739351 0.80 ITGB3 (0.36) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9209711 0.80 MEN1 (0.50) SMN1; SMN2MAPTHTR2CHTR2BHTR2A
SCHEMBL9207494 0.80 PARP1 (0.48) DRD2EHMT2HTR2CHTR2BPARP1
SCHEMBL9207567 0.79 DRD2 (0.39) SMN1; SMN2DRD2PARP1EED

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-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-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP 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
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed