SCHEMBL7472407

SCHEMBL7472407

Cn1nnc(-c2ccc(C[N+]3([O-])CCC(C(O)(c4ccc(C(F)(F)F)cc4)c4ccc(C(F)(F)F)cc4)CC3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 3/20 0.36
RORC P51449 1/20 0.35
DNMT1 P26358 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPY2R P49146 1/20 0.33
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL7465767 0.90 LMNA (0.43) ALDH1A1LMNAHDAC6TP53DNMT1
SCHEMBL7990527 0.85 LMNA (0.41) ALDH1A1LMNAHDAC6TP53DNMT1
SCHEMBL7464967 0.81 DNMT1 (0.54) ALDH1A1LMNAHDAC6DNMT1EHMT2
SCHEMBL7990532 0.73 LMNA (0.39) ALDH1A1LMNAHDAC6TP53KCNJ6
SCHEMBL2611120 0.73 ALDH1A1 (0.55) ALDH1A1LMNAHDAC6TP53MAPT
SCHEMBL7983659 0.73 CYP1A1 (0.40) ALDH1A1LMNADNMT1EHMT2MAPT
SCHEMBL7466544 0.72 ALDH1A1 (0.49) ALDH1A1DNMT1EHMT2NPY2RKCNH2
SCHEMBL8001656 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHDAC6TP53DNMT1
SCHEMBL7995779 0.72 PTGES (0.36) DNMT1EHMT2NPY2RKCNH2
SCHEMBL8948474 0.71 DNMT1 (0.49) LMNADNMT1EHMT2MAPTNPY2R

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
EP-0844825-B1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2002-11-27 EP claimed
US-6030987-A Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or pyridyl)methyl]piperidines FMC CORPORATION (US) 2000-02-29 US claimed
EP-0844825-B1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2002-11-27 EP disclosed
US-6214845-B1 AGRICULTURE FMC CORPORATION 2001-04-10 US disclosed
US-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US disclosed
EP-0844825-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2000-04-05 EP disclosed
US-6030987-A Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or pyridyl)methyl]piperidines FMC CORPORATION (US) 2000-02-29 US disclosed
EP-0844825-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1998-06-03 EP disclosed
WO-1996036228-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-11-21 WO disclosed