SCHEMBL8203549

SCHEMBL8203549

COc1cc(NC(=O)c2cccc3c2CCC(CCN2CCC(c4ccccc4)CC2)C3=O)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
DRD3 P35462 2/20 0.42
MAOB P27338 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.41
MAOA P21397 1/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 2/20 0.40
HTR7 P34969 1/20 0.40
HTR2A P28223 1/20 0.40
APP P05067 1/20 0.40
MCHR1 Q99705 1/20 0.40
DRD4 P21917 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
SCHEMBL8200595 0.87 ALDH1A1 (0.45) HTR2CSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8199345 0.86 CCR2 (0.46) HTR2C
SCHEMBL8199643 0.84 CCR5 (0.48) HTR2CDRD3DRD2HTR7
SCHEMBL8200188 0.83 KDM4E (0.44) HTR2CSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8200414 0.82 PRCP (0.44) HTR2CALDH1A1MEN1KMT2A
SCHEMBL8200402 0.81 HTR2C (0.48) HTR2CDRD3DRD2HTR7DRD4
SCHEMBL8198484 0.80 HTR2C (0.42) HTR2CMEN1KMT2ATSHRDRD3
SCHEMBL8199832 0.79 PRCP (0.56) HTR2CALDH1A1KDM4E
SCHEMBL8192538 0.79 PRCP (0.56) HTR2CALDH1A1KDM4E
SCHEMBL8205410 0.79 DRD2 (0.41) SMN1; SMN2DRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed