SCHEMBL9308929

SCHEMBL9308929

CC(=O)N(c1ccc2c(c1)CCC(=O)N2)C1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.52
▸ DRD2 P14416 7/20 0.45
▸ SLC6A4 P31645 4/20 0.45
▸ DRD3 P35462 4/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ MAOA P21397 7/20 0.45
▸ MAOB P27338 7/20 0.45
▸ DRD4 P21917 3/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44

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
Hydrochloric Acid SCHEMBL7294475 0.99 KDM1A (0.51) KDM1ADRD2SLC6A4DRD3HTR1A
Hydrochloric Acid SCHEMBL7292922 0.84 CHRM2 (0.59) —
Hydrochloric Acid SCHEMBL7287910 0.80 NPY2R (0.49) —
SCHEMBL11044734 0.76 KCNA5 (0.63) KDM1ADRD2DRD3HTR2A
SCHEMBL7346182 0.76 GRIN2B (0.56) KDM1ADRD2SLC6A4DRD3HTR1A
Hydrochloric Acid SCHEMBL11041972 0.75 KCNA5 (0.61) KDM1ADRD2DRD3HTR2A
SCHEMBL11065756 0.73 KDM1A (0.55) KDM1ADRD2SLC6A4DRD3HTR1A
SCHEMBL19046481 0.73 KDM1A (0.64) KDM1ADRD2SLC6A4DRD3HTR1A
Hydrochloric Acid SCHEMBL7309309 0.72 KDM1A (0.42) KDM1ADRD2SLC6A4DRD3HTR1A
SCHEMBL8920578 0.72 PDE3B (0.49) KDM1ADRD2SLC6A4HTR2AMAOA

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-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 — — US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 — — US disclosed
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