SCHEMBL10837656

SCHEMBL10837656

CCc1ccccc1N1CCN(CCCCc2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 19/20 0.68
▸ HTR1A P08908 9/20 0.68
▸ HTR2A P28223 9/20 0.68
▸ DRD3 P35462 5/20 0.68
▸ DRD4 P21917 4/20 0.68
▸ SLC6A4 P31645 2/20 0.68
▸ HTR2C P28335 1/20 0.68
▸ HTR7 P34969 1/20 0.68
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51

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
SCHEMBL10837085 0.89 DRD2 (0.69) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10838107 0.88 DRD2 (0.68) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10836239 0.88 DRD2 (0.70) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10837661 0.85 DRD2 (0.64) DRD2HTR1AHTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL10836347 0.85 DRD2 (0.67) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10837726 0.85 DRD2 (0.73) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10836552 0.84 DRD2 (0.69) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10835764 0.84 DRD2 (0.68) DRD2HTR1AHTR2ADRD3DRD4
Hydrochloric Acid SCHEMBL10835891 0.82 DRD2 (0.64) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL10838127 0.82 DRD2 (0.68) DRD2HTR1AHTR2ADRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4567187-A CENTRAL NERVOUS SYSTEM OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-28 — — US disclosed
Send feedback