SCHEMBL9822899

SCHEMBL9822899

COc1ccccc1N1CCN(CCCCN2C(=O)C3CC(C2=O)C2C3C3C4CC5C3C5C42)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.67
HTR7 P34969 5/20 0.67
HTR1A P08908 3/20 0.67
HTR2A P28223 1/20 0.67
HTR6 P50406 1/20 0.67
ADRA1D P25100 3/20 0.66
ADRA1A P35348 3/20 0.66
ADRA1B P35368 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
ALOX12 P18054 1/20 0.66
HIF1A Q16665 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KDM4E B2RXH2 1/20 0.65
GLA P06280 1/20 0.65
HPGD P15428 1/20 0.65
CYP1A2 P05177 1/20 0.64

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
SCHEMBL2547292 0.85 DRD2 (0.72) DRD2HTR7HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL10782024 0.84 DRD2 (0.70) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL10468417 0.83 HTR7 (0.73) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL6240084 0.83 DRD2 (0.71) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL10674383 0.83 HTR7 (0.75) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL6111323 0.83 DRD2 (0.71) DRD2HTR7HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL7105041 0.82 DRD2 (0.70) DRD2HTR7HTR1AHTR2AHTR6
Hydrochloric Acid SCHEMBL6111520 0.82 DRD2 (0.70) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL6244716 0.81 DRD2 (0.72) DRD2HTR7HTR1AHTR2AHTR6
SCHEMBL2544244 0.81 HTR7 (0.98) DRD2HTR7HTR1AHTR2AHTR6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US claimed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO claimed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed