SCHEMBL9720738

SCHEMBL9720738

COc1ccccc1N1CCN(Cc2nc(-c3ccc(C)cc3)[nH]c2C)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
DRD4 P21917 5/20 0.57
DRD3 P35462 5/20 0.57
MAPT P10636 3/20 0.56
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
HTR7 P34969 1/20 0.51
HTR1A P08908 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL8963495 0.83 DRD2 (0.50) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL9720664 0.82 DRD2 (0.62) DRD2DRD4DRD3
SCHEMBL9725056 0.82 DRD4 (0.67) DRD2DRD4DRD3LMNAHTR7
SCHEMBL8963868 0.79 DRD2 (0.63) DRD2DRD4DRD3MAPTMAPK1
Hydrochloric Acid SCHEMBL10644520 0.77 DRD2 (0.56) DRD2DRD4DRD3
SCHEMBL9720670 0.77 DRD4 (0.57) DRD2DRD4DRD3MAPTMAPK1
SCHEMBL9720668 0.76 DRD2 (0.55) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL6031726 0.76 MAPK1 (0.80) DRD2DRD4DRD3MAPK1ALDH1A1
SCHEMBL8963961 0.76 DRD2 (0.58) DRD2DRD4DRD3
Bromide SCHEMBL6575673 0.75 MAPK1 (0.78) DRD2DRD4DRD3MAPK1ALDH1A1

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