SCHEMBL9130488

SCHEMBL9130488

COc1cc2c(cc1OC)C(C)(CCN1CCN(c3ccccc3Cl)CC1)OCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
ADORA2B P29275 1/20 0.44
HTR4 Q13639 1/20 0.44
MAPK1 P28482 1/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1B P35368 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11567437 0.85 DRD2 (0.49) DRD2DRD3DRD4HTR7HTR1A
SCHEMBL10752570 0.77 HTR1A (0.54) DRD2DRD3DRD4HTR7HTR1A
SCHEMBL10749348 0.76 KDM4E (0.47) DRD2DRD3DRD4HTR4MAPK1
SCHEMBL9131776 0.73 DRD2 (0.55) DRD2DRD3DRD4ADORA2BHTR4
SCHEMBL11219802 0.71 MAPT (0.33) MAPK1HTR1AKDM4EADRA1DMAPT
SCHEMBL10744900 0.71 HTR7 (0.44) DRD3HTR7HTR1AKDM4EMAPT
SCHEMBL11567096 0.71 ADORA2A (0.36) DRD2DRD3DRD4
SCHEMBL11273685 0.71 HTR2A (0.53) DRD2DRD3DRD4ADORA2BHTR4
Mefeclorazine SCHEMBL2110367 0.71 ADRA1D (0.73) DRD2DRD3DRD4MAPK1HTR1A
SCHEMBL29138034 0.71 DRD2 (0.46) DRD2DRD3DRD4ADORA2BHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579754-A1 USE OF AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1994-01-26 EP claimed
WO-1992018089-A2 USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1992-10-29 WO claimed
US-5436337-A Anticarcinogenic agents THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
WO-1992018089-A2 USE OF STEROIDAL AND NON-STEROIDAL AMINES TO SENSITIZE MULTIDRUG-RESISTANT CELLS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed