SCHEMBL7094858

SCHEMBL7094858

COC(CNC(=O)c1cc2ccccc2[nH]1)OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
DRD3 P35462 1/20 0.60
HTR2C P28335 1/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
AKR1C3 P42330 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 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
SCHEMBL75255 0.85 DRD2 (0.64) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL30595731 0.85 DRD2 (0.64) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL3246963 0.82 KDM4E (0.68) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL7097103 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL7087439 0.81 DRD2 (0.63) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL5349216 0.80 DRD2 (0.68) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL9397179 0.80 DRD2 (0.74) DRD2DRD3HTR2CKDM4EALDH1A1
SCHEMBL7098599 0.80 RAB9A (0.65) KDM4ENPC1RAB9AHDAC3HDAC4
SCHEMBL10064737 0.79 HRH4 (0.49) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL13101463 0.78 DRD2 (0.63) 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-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed