SCHEMBL8919197

SCHEMBL8919197

CN(CCCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GRIN2B Q13224 3/20 0.45
MCHR1 Q99705 1/20 0.44
SLC6A4 P31645 2/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
OGT O15294 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD4 P21917 1/20 0.42
AGTR2 P50052 1/20 0.42

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
SCHEMBL8922923 0.95 CRBN (0.48) CRBNMAOAMAOBGRIN2BSLC6A4
SCHEMBL7286684 0.89 CRBN (0.50) CRBNMAOAMAOBGRIN2BSLC6A4
Hydrochloric Acid SCHEMBL7470903 0.85 HSD11B1 (0.47) CRBNGRIN2BITGB3ITGA2B
SCHEMBL8920578 0.85 PDE3B (0.49) CRBNMAOAMAOBSLC6A4NR3C1
Hydrochloric Acid SCHEMBL8919117 0.84 CRBN (0.46) CRBNGRIN2BSLC6A4NR3C1PGR
Hydrochloric Acid SCHEMBL7294149 0.84 PDE3B (0.48) CRBNMAOAMAOBSLC6A4NR3C1
SCHEMBL7287837 0.83 CRBN (0.49) CRBNMAOAMAOBGRIN2BSLC6A4
SCHEMBL15586588 0.81 SIGMAR1 (0.58) CRBNMAOAMAOBGRIN2BSLC6A4
Oxalic Acid SCHEMBL8919236 0.81 MEN1 (0.41) CRBNMAOAMAOBGRIN2BOGT
SCHEMBL15586587 0.80 SIGMAR1 (0.63) CRBNMAOAMAOBGRIN2BSLC6A4

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
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed