SCHEMBL5584258

SCHEMBL5584258

CO[Si](CCC(F)(F)F)(OC)N1CCCC1c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAOB P27338 2/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
MAPK1 P28482 1/20 0.37
ROCK2 O75116 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAOA P21397 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTR2C P28335 1/20 0.34
OPRK1 P41145 1/20 0.34
SCD5 Q86SK9 1/20 0.33

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
SCHEMBL5584313 0.97 MAOB (0.37) ALDH1A1MAOBDRD2DRD1DRD4
SCHEMBL5584404 0.71 PEPD (0.30)
SCHEMBL5584096 0.69 PEPD (0.31)
SCHEMBL22055802 0.69 ALDH1A1 (0.48) ALDH1A1MAOBDRD2DRD1DRD4
SCHEMBL13162103 0.66 CHRNB2 (0.66) ALDH1A1MAPT
SCHEMBL24775063 0.66 DRD2 (0.46) ALDH1A1MAOBDRD2DRD1DRD4
SCHEMBL137670 0.66 KMT2A (0.32) ALDH1A1MAPK1
SCHEMBL5584140 0.66
SCHEMBL27111350 0.63 DRD2 (0.46) ALDH1A1MAOBDRD2DRD1DRD4
SCHEMBL24775490 0.63 DRD2 (0.46) ALDH1A1MAOBDRD2DRD1DRD4

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
US-20070039732-A1 Methods and compositions for improving hydrocarbon recovery by water flood intervention BJ SERVICES COMPANY 2007-02-22 US disclosed
EP-0926164-B1 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them BASELL NORTH AMERICA INC (US) 2004-02-25 EP disclosed
US-6130180-A Catalyst for the polymerization of alpha-olefins containing substituted amino silane compounds MONTELL NORTH AMERICA INC. (US) 2000-10-10 US disclosed
EP-0926164-A2 Substituted amino silane compounds and catalyst for the polymerization of alpha-olefins containing them MONTELL NORTH AMERICA INC. (US) 1999-06-30 EP disclosed