SCHEMBL7210539

SCHEMBL7210539

Cc1cc2cccc([C@H](CO[Si](C)(C)C(C)(C)C)N3CCCC[C@H]3C)c2nc1-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 4/20 0.31
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
PIK3CG P48736 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL7210537 1.00 MAPT (0.32) MAPTCRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL7210500 0.84 KDM4E (0.37) MAPTCRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL7210503 0.84 KDM4E (0.37) MAPTCRHBPCRHR2SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL7210309 0.83 KDM4E (0.39) MAPTCRHBPCRHR2SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL7216184 0.83 KDM4E (0.39) MAPTCRHBPCRHR2SMN1; SMN2HRH3
SCHEMBL7215272 0.77 PDE10A (0.39) MAPTPDE10AKDM4EPDE1APDE1B
SCHEMBL7215268 0.77 PDE10A (0.39) MAPTPDE10AKDM4EPDE1APDE1B
SCHEMBL7211920 0.72 PDE10A (0.38) PDE10APDE1APDE1BPDE1C
SCHEMBL7211918 0.72 PDE10A (0.38) PDE10APDE1APDE1BPDE1C
SCHEMBL7779987 0.64 MEN1 (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 US disclosed
EP-1240146-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-18 EP disclosed
WO-2001038310-A1 2-ARYLQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-05-31 WO disclosed