SCHEMBL8922923

SCHEMBL8922923

CN(CCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.48
GRIN2B Q13224 2/20 0.46
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
OGT O15294 1/20 0.44
CHIA Q9BZP6 1/20 0.42
DRD4 P21917 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8919197 0.95 CRBN (0.47) CRBNGRIN2BNR3C1PGRSLC6A4
Hydrochloric Acid SCHEMBL7470903 0.91 HSD11B1 (0.47) CRBNGRIN2BITGB3ITGA2BCHIA
SCHEMBL7286684 0.91 CRBN (0.50) CRBNGRIN2BNR3C1PGRSLC6A4
SCHEMBL8920578 0.86 PDE3B (0.49) CRBNNR3C1PGRSLC6A4KCNH2
Oxalic Acid SCHEMBL8919236 0.86 MEN1 (0.41) CRBNGRIN2BMAOAMAOBOGT
Hydrochloric Acid SCHEMBL7294149 0.86 PDE3B (0.48) CRBNNR3C1PGRSLC6A4KCNH2
Hydrochloric Acid SCHEMBL8919117 0.86 CRBN (0.46) CRBNGRIN2BNR3C1PGRSLC6A4
SCHEMBL8919777 0.85 CHIA (0.42) GRIN2BITGB3ITGA2BCHIAALDH1A1
Hydrochloric Acid SCHEMBL8919035 0.85 GRIN2B (0.39) GRIN2BITGB3ITGA2BCHIAALDH1A1
SCHEMBL7287837 0.84 CRBN (0.49) CRBNGRIN2BNR3C1PGRSLC6A4

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