SCHEMBL4772684

SCHEMBL4772684

COc1ccc2[nH]cc(CN3CCN(c4ccccc4OC)CC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
TSHR P16473 1/20 0.69
DRD2 P14416 4/20 0.63
DRD3 P35462 3/20 0.63
DRD4 P21917 2/20 0.63
HTR1A P08908 5/20 0.62
HTR7 P34969 4/20 0.62
HTR2A P28223 2/20 0.62
HTR6 P50406 1/20 0.62
SLC6A4 P31645 1/20 0.61
KCNH2 Q12809 1/20 0.61
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
HRH2 P25021 1/20 0.59
HRH1 P35367 1/20 0.59
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 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
SCHEMBL949387 0.89 DRD2 (0.79) KDM4EDRD2DRD3DRD4HTR1A
SCHEMBL4775148 0.88 DRD2 (0.62) KDM4ETSHRDRD2DRD3DRD4
SCHEMBL947201 0.82 HTR1A (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL19140382 0.82 HTR1A (0.65) KDM4EDRD2DRD3DRD4HTR1A
SCHEMBL4753124 0.82 KDM4E (0.81) KDM4ETSHRDRD2DRD3DRD4
SCHEMBL5172365 0.82 HTR2A (0.74) TSHRDRD2DRD3DRD4HTR1A
SCHEMBL946686 0.82 LMNA (0.59) TSHRDRD2DRD3DRD4HTR1A
SCHEMBL20629330 0.81 DRD2 (0.60) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5198374 0.80 DRD3 (0.68) KDM4EDRD2DRD3DRD4HTR1A
SCHEMBL17533456 0.80 HTR1A (0.62) DRD2DRD3DRD4HTR1AHTR2A

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
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed