SCHEMBL8467178

SCHEMBL8467178

O=C(CCCCCCCCCCCc1c[nH]nn1)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GAA P10253 1/20 0.56
EPHX2 P34913 4/20 0.56
TRPV1 Q8NER1 3/20 0.54
FAAH O00519 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
CNR2 P34972 3/20 0.47
CNR1 P21554 2/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL7763386 0.79 MEN1 (0.86) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL9080237 0.78 MEN1 (0.83) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL8523258 0.78 MEN1 (0.62) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL2942358 0.78 MEN1 (0.96) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL25754861 0.77 TBXAS1 (0.40) FAAH
SCHEMBL5534335 0.76 TBXAS1 (0.45) LMNAMAPT
SCHEMBL8464935 0.76 TBXAS1 (0.45) LMNAMAPT
SCHEMBL5537212 0.76 TBXAS1 (0.45) LMNAMAPT
SCHEMBL27350259 0.75 MEN1 (0.83) MEN1KMT2AGAAEPHX2TRPV1
SCHEMBL5536332 0.75 TBXAS1 (0.42) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5719290-A METHYLOXYUNDECYL- OR DECYLOXYETHYL-NITRILE OR TETRAZOLE DERIVATIVES; VIRICIDES G. D. SEARLE & CO. (US) 1998-02-17 US disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed