SCHEMBL7703014

SCHEMBL7703014

COc1ccccc1N1CCN(CCN(Cc2ccccc2)C(=O)C2CCCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.65
HTR1A P08908 5/20 0.65
ADRA1D P25100 4/20 0.65
ADRA1B P35368 4/20 0.65
DRD4 P21917 3/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65
HTR1B P28222 1/20 0.65
HTR7 P34969 1/20 0.65
HTR2B P41595 1/20 0.64
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DRD2 P14416 3/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL7699944 0.91 ADRA1A (0.63) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL7699931 0.89 HTR1A (0.59) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL7698385 0.86 HTR1A (0.59) ADRA1AHTR1AADRA1DADRA1BDRD4
Hydrochloric Acid SCHEMBL7536688 0.85 HTR1A (0.72) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL6933223 0.84 HTR1A (0.75) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL6933222 0.82 HTR1A (0.78) ADRA1AHTR1AADRA1DADRA1BDRD4
Hydrochloric Acid SCHEMBL7736568 0.80 HTR1A (0.72) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL6930788 0.80 HTR1A (0.71) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL6931653 0.79 HTR1A (0.73) ADRA1AHTR1AADRA1DADRA1BDRD4
SCHEMBL8013493 0.79 HTR1A (0.76) ADRA1AHTR1AADRA1DADRA1BDRD4

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-6344458-B1 CENTRAL NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2002-02-05 US disclosed