SCHEMBL6865166

SCHEMBL6865166

O=C(CN1CCN(Cc2ccccc2)CC1)NC1CCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.67
GAA P10253 2/20 0.64
ALDH1A1 P00352 3/20 0.62
EPHX2 P34913 1/20 0.62
DPP7 Q9UHL4 1/20 0.61
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.58

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
SCHEMBL6864004 0.85 ALDH1A1 (0.56) SIGMAR1ALDH1A1
SCHEMBL6865191 0.85 CHRM2 (0.57) SIGMAR1ALDH1A1HTTKMT2A
SCHEMBL16026613 0.84 DPP7 (0.81) SIGMAR1GAAALDH1A1DPP7HTT
SCHEMBL7112457 0.83 ALDH1A1 (0.57) ALDH1A1
SCHEMBL6864686 0.82 ACKR3 (0.58) SIGMAR1ALDH1A1POLB
SCHEMBL7187522 0.82 SIGMAR1 (0.70) SIGMAR1GAAALDH1A1
SCHEMBL6862228 0.81 SIGMAR1 (0.67) SIGMAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL5862113 0.80 SIGMAR1 (1.00) SIGMAR1
SCHEMBL4494539 0.80 ALDH1A1 (0.57) SIGMAR1ALDH1A1EPHX2
SCHEMBL23612751 0.79 SIGMAR1 (0.71) SIGMAR1ALDH1A1POLB

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-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