SCHEMBL3633557

SCHEMBL3633557

[CH2]C(c1ccc2c(C)nccc2n1)N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN9A Q15858 1/20 0.41
CYP11B1 P15538 3/20 0.39
CYP17A1 P05093 2/20 0.39
CYP21A2 P08686 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP7A1 P22680 1/20 0.39
GBA1 P04062 4/20 0.38
KDM2B Q8NHM5 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CYP11B2 P19099 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL3633473 0.90 MEN1 (0.48) MEN1KMT2AGBA1LIPE
SCHEMBL3632513 0.83 CHRM1 (0.40) MEN1KMT2AGBA1KDM2BALDH1A1
SCHEMBL3634837 0.81 ALDH1A1 (0.47) MEN1KMT2AGBA1KDM4EALDH1A1
SCHEMBL3326619 0.79 PIK3CA (0.43) SCN9AKDM2B
SCHEMBL3633554 0.79 KDM2B (0.43) MEN1KMT2ASCN9ACYP11B1CYP17A1
SCHEMBL3627516 0.76 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL3633458 0.69 HRH3 (0.39) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3632361 0.69 FPR2 (0.46) SCN9ALIPE
SCHEMBL3322017 0.68 MCHR1 (0.46) MEN1KMT2AGBA1
SCHEMBL29519234 0.68 ALDH1A1 (0.56) MEN1KMT2ASCN9AKDM2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed