SCHEMBL7705260

SCHEMBL7705260

Cc1cccc(C)c1N1[CH]CN(CC(O)COCc2ccc3ccccc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.44
WDR77 Q9BQA1 3/20 0.44
LMNA P02545 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CASR P41180 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL7077323 0.76 CYP3A4 (0.61) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7708649 0.75 SLC6A3 (0.45) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7705235 0.75 CYP2D6 (0.54) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7705244 0.75 PRMT5 (0.53) PRMT5WDR77LMNAMEN1KMT2A
SCHEMBL7713731 0.73 ABCB1 (0.42) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7005719 0.72 CYP3A4 (0.52)
SCHEMBL7007007 0.71 CYP3A4 (0.44) LMNAMEN1KMT2ASMN1; SMN2USP2
SCHEMBL7004615 0.70 LMNA (0.51) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7711594 0.70 LMNA (0.47) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7711567 0.70 CHRNA7 (0.44) LMNAMEN1KMT2ASMN1; SMN2GAA

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-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP claimed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO claimed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed