SCHEMBL9646151

SCHEMBL9646151

Cc1ccccc1N1CCN(CCn2c(=O)oc3cccnc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
ADRA1D P25100 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9647603 0.90 ALDH1A1 (0.50) HTR7ALDH1A1KDM4EADRA1AADRA1B
SCHEMBL9644844 0.88 TSHR (0.51) HTR7ALDH1A1KDM4EADRA1AADRA1B
SCHEMBL9647687 0.86 HTR1A (0.65) HTR7ADRA1AHTR1ADRD2DRD3
SCHEMBL9646137 0.84 HTR1A (0.60) HTR7ALDH1A1KDM4EHTR1A
SCHEMBL9644860 0.84 KDM4E (0.49) HTR7ALDH1A1KDM4EHTR1A
SCHEMBL9592125 0.84 KDM4E (0.54) ALDH1A1KDM4EDRD2
SCHEMBL9645757 0.83 NPC1 (0.53) ALDH1A1KDM4EADRA1AADRA1BADRA1D
SCHEMBL9592310 0.81 KDM4E (0.53) ALDH1A1KDM4E
SCHEMBL9589962 0.80 KDM4E (0.52) ALDH1A1KDM4E
SCHEMBL9589251 0.80 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2

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-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed