SCHEMBL7469462

SCHEMBL7469462

CCS(=O)(=O)N(CC(=O)NCCc1ccc(N)cn1)C1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.38
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
CYP3A4 P08684 1/20 0.34
HTR2A P28223 2/20 0.33
MAPT P10636 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL7473315 0.89 TRPV1 (0.37) TRPV1KCNE1KCNQ1CYP3A4HTR2A
SCHEMBL7477208 0.88 HSD17B10 (0.41) TRPV1KCNE1KCNQ1CYP3A4MAPT
SCHEMBL7474303 0.85 TRPV1 (0.46) TRPV1KCNE1KCNQ1MAPTALDH1A1
SCHEMBL7472708 0.83 MAPT (0.48) TRPV1KCNE1KCNQ1MAPTALDH1A1
SCHEMBL4621983 0.82 KCNE1 (0.45) TRPV1KCNE1KCNQ1CYP3A4MAPT
SCHEMBL14256398 0.82 KCNE1 (0.45) TRPV1KCNE1KCNQ1CYP3A4MAPT
SCHEMBL7473827 0.79 KCNA5 (0.38) TRPV1KCNE1KCNQ1CYP3A4MAPT
SCHEMBL7461292 0.79 KMT2A (0.45) TRPV1KCNE1KCNQ1ALDH1A1LMNA
SCHEMBL7477203 0.79 TRPV1 (0.42) TRPV1KCNE1KCNQ1ALDH1A1GAA
SCHEMBL7470001 0.78 KCNE1 (0.42) TRPV1KCNE1KCNQ1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed