SCHEMBL6934690

SCHEMBL6934690

CC(C)N(C(=O)C=C(c1ccccc1)c1ccccc1N)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 5/20 0.39
CFTR P13569 1/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
PGR P06401 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6934845 1.00 MAPT (0.46) MAPTGAALTB4RLTB4R2ALDH1A1
SCHEMBL6934974 0.83 NPSR1 (0.43) MAPTGAALTB4RLTB4R2ALDH1A1
SCHEMBL6937344 0.80 SLC6A1 (0.44) GAALTB4RLTB4R2SMN1; SMN2LMNA
SCHEMBL6937348 0.80 SLC6A1 (0.44) GAALTB4RLTB4R2SMN1; SMN2LMNA
SCHEMBL10355817 0.76 CSNK2A1 (0.45) MAPTLTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL10316745 0.76 CSNK2A1 (0.45) MAPTLTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL10316746 0.76 CSNK2A1 (0.45) MAPTLTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL15547428 0.74 HNF4A (0.39) MAPTLTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL15547430 0.74 HNF4A (0.39) MAPTLTB4RLTB4R2ALDH1A1KDM4E
SCHEMBL6623610 0.73 KDM4E (0.50) MAPTGAAALDH1A1KDM4EHSD17B10

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-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed