SCHEMBL6865563

SCHEMBL6865563

O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NO

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.61
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
SIGMAR1 Q99720 2/20 0.60
LMNA P02545 2/20 0.59
ACHE P22303 1/20 0.58
POLB P06746 2/20 0.56
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
MAPT P10636 2/20 0.52
DRD4 P21917 2/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1I Q9P0X4 1/20 0.51
CACNA1G O43497 1/20 0.50

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
SCHEMBL6861962 0.84 KDM4E (0.63) FAAHKDM4EALDH1A1GAASIGMAR1
SCHEMBL6864901 0.83 ALDH1A1 (0.50) KDM4EALDH1A1GAALMNAACHE
SCHEMBL7187522 0.83 SIGMAR1 (0.70) KDM4EALDH1A1GAASIGMAR1DRD4
SCHEMBL6865561 0.83 FAAH (0.59) FAAHKDM4EALDH1A1GAASIGMAR1
SCHEMBL2929974 0.80 FAAH (0.72) FAAHKDM4EALDH1A1GAASIGMAR1
SCHEMBL7178916 0.80 ALDH1A1 (0.60) FAAHKDM4EALDH1A1LMNAPOLB
SCHEMBL1761024 0.79 FAAH (0.67) FAAHKDM4EALDH1A1GAASIGMAR1
SCHEMBL30747663 0.79 FAAH (0.67) FAAHKDM4EALDH1A1GAASIGMAR1
SCHEMBL6863535 0.79 KMT2A (0.68) KDM4EALDH1A1GAASIGMAR1LMNA
SCHEMBL7105308 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US claimed
US-6800444-B1 USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS/INTERMEDIATES ISIS PHARMACEUTICALS, INC. 2004-10-05 US disclosed
US-6660466-B1 Reacting reactive appendage compounds such as meta benzylic compounds or alpha-amide compounds with scaffold molecules having reactive functionalities and contacting the intermediate library with a reducing agent ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6150129-A USEFUL AS ANTIBACTERIAL AND OTHER PHARMACEUTICAL AGENTS AND AS INTERMEDIATES FOR PREPARATION OF OTHER PHARMACEUTICAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5817489-A BACTERICIDES, OR CHEMICAL INTERMEDIATES THEREOF; DRUG LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-10-06 US disclosed
US-5798360-A ANTIBACTERIAL AGENTS ISIS PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed
US-5780241-A ALTERING ELECTROCHEMICAL PROPERTIES BY DECYCLIZATION ISIS PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
WO-1998020349-A1 COMPLEX CHEMICAL LIBRARIES ISIS PHARMACEUTICALS, INC. (US) 1998-05-14 WO disclosed
US-5731438-A BACTERICIDES; DRUGS ISIS PHARMACEUTICALS, INC. (US) 1998-03-24 US disclosed
WO-1998005332-A1 NOVEL HETEROCYCLE COMPOSITIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed