SCHEMBL6662442

SCHEMBL6662442

CSc1ccccc1CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD3 P35462 1/20 0.56
HTR2C P28335 1/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.53
ADRB2 P07550 1/20 0.52
AKR1C3 P42330 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL22809795 0.81 KDM4E (0.58) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6659424 0.81 KDM4E (0.60) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6656620 0.81 POLB (0.59) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6656151 0.80 HDAC2 (0.62) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6661461 0.80 ROCK2 (0.59) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL19476088 0.79 NPC1 (0.61) KDM4EALDH1A1GAAMAPK1HSD17B10
SCHEMBL6658648 0.78 DRD2 (0.57) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL2735969 0.77 CA12 (0.72) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL9397179 0.77 DRD2 (0.74) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL6656183 0.76 MTNR1A (0.57) DRD2DRD3HTR2CKDM4EALDH1A1

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-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed