SCHEMBL6865561

SCHEMBL6865561

O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.59
SIGMAR1 Q99720 2/20 0.58
ACHE P22303 1/20 0.57
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
OPRL1 P41146 1/20 0.50
DRD4 P21917 2/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL6864565 0.85 ALDH1A1 (0.49) FAAHPOLBALDH1A1KDM4EGAA
SCHEMBL6864884 0.85 KMT2A (0.58) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL6858039 0.83 FAAH (0.57) FAAHPOLBALDH1A1KDM4ELMNA
SCHEMBL6865563 0.83 FAAH (0.61) FAAHSIGMAR1ACHEPOLBALDH1A1
SCHEMBL3971804 0.82 RAB9A (0.54) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL7111273 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EGAALMNAKMT2A
SCHEMBL6864289 0.80 FAAH (0.59) FAAHALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL6861962 0.80 KDM4E (0.63) FAAHSIGMAR1ACHEALDH1A1KDM4E
SCHEMBL6864679 0.80 ALDH1A1 (0.58) FAAHSIGMAR1POLBALDH1A1KDM4E
SCHEMBL2929974 0.76 FAAH (0.72) FAAHSIGMAR1ALDH1A1KDM4EGAA

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 11 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-5922872-A BACTERICIDES AND DRUGS ISIS PHARMACEUTICALS, INC. (US) 1999-07-13 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