SCHEMBL6934786

SCHEMBL6934786

CC(C)N(CCC(c1ccccc1)c1ccccc1OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.43
ATM Q13315 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SGMS2 Q8NHU3 6/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LIPE Q05469 1/20 0.38
ABCB1 P08183 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC1A5 Q15758 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6934653 0.86 CCR5 (0.46) BCHEALDH1A1LMNACHRM2CHRM1
SCHEMBL14830850 0.86 LMNA (0.49) ATMMAPTMAPK1TDP1L3MBTL1
SCHEMBL6937323 0.84 CHRM2 (0.44) MAPTALDH1A1CHRM2CHRM1
SCHEMBL4832060 0.81 CHRM2 (0.50) ATMMAPTMAPK1TDP1L3MBTL1
SCHEMBL9228517 0.80 SGMS2 (0.43) ATMMAPTMAPK1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL6940957 0.78 HRH1 (0.49) MAPTTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL14412032 0.77 CHRM2 (0.39) BCHEMAPTALDH1A1LMNAKDM4E
SCHEMBL27509584 0.76 HRH1 (0.52) MAPTMAPK1TDP1L3MBTL1SGMS2
SCHEMBL4829373 0.75 CHRM3 (0.61) MAPTSGMS2ALDH1A1LMNACYP1A2
SCHEMBL9228800 0.75 SGMS2 (0.39) MAPTMAPK1TDP1L3MBTL1SGMS2

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