SCHEMBL9720819

SCHEMBL9720819

Oc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.73
MAPT P10636 4/20 0.71
HTR2C P28335 1/20 0.71
ME2 P23368 1/20 0.62
ME1 P48163 1/20 0.62
ME3 Q16798 1/20 0.62
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
KCNH2 Q12809 1/20 0.56
HTR7 P34969 1/20 0.54
LSS P48449 1/20 0.54

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
SCHEMBL5542234 1.00 DRD4 (0.73) DRD4MAPTHTR2CME2ME1
SCHEMBL6030916 0.91 MAPT (0.83) DRD4MAPTDRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL6030550 0.90 MAPT (0.81) DRD4MAPTDRD2DRD3ALDH1A1
SCHEMBL5540528 0.87 DRD4 (0.69) DRD4MAPTHTR2CME2ME1
SCHEMBL27903298 0.87 DRD4 (0.73) DRD4MAPTHTR2CME2ME1
SCHEMBL5539457 0.86 ME2 (0.63) DRD4MAPTHTR2CME2ME1
SCHEMBL5544114 0.85 MAPT (0.74) DRD4MAPTHTR2CME2ME1
SCHEMBL27921073 0.85 DRD4 (0.71) DRD4MAPTHTR2CDRD2DRD3
SCHEMBL5535567 0.85 DRD4 (0.71) DRD4MAPTHTR2CDRD2DRD3
SCHEMBL2876563 0.85 DRD4 (1.00) DRD4HTR2CME2ME1ME3

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-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed