SCHEMBL7786798

SCHEMBL7786798

C[CH]CN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.66
DRD3 P35462 3/20 0.62
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
HTR1A P08908 1/20 0.61
KDM4E B2RXH2 4/20 0.60
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GLA P06280 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL1074635 0.86 DRD2 (0.64) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL1193917 0.86 DRD2 (0.64) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2314625 0.82 KDM4E (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL30080716 0.82 KDM4E (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL9036478 0.82 KDM4E (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL30080714 0.82 KDM4E (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2314632 0.82 KDM4E (0.61) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL27597995 0.82 DRD2 (0.57) DRD2DRD3ADRA1AHTR1AKDM4E
SCHEMBL4617829 0.82 DRD2 (0.77) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL6526368 0.81 DRD2 (0.85) DRD2DRD3ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP disclosed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed