SCHEMBL6692830

SCHEMBL6692830

Cc1[nH]c2ccc(CC(C)(N)C3CCCCC3)cc2c1C(=O)OC(C)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 3/20 0.30
MAPT P10636 2/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6407520 0.82 RAB9A (0.36) LMNASMN1; SMN2GAARAB9AKDM4E
SCHEMBL6315018 0.81 KMT2A (0.36) LMNASMN1; SMN2GAARAB9AKDM4E
SCHEMBL6318228 0.79 LMNA (0.34) LMNASMN1; SMN2GAA
SCHEMBL6692790 0.79 HTT (0.36) LMNASMN1; SMN2GAARAB9AMAPK14
SCHEMBL6318232 0.79 LMNA (0.40) LMNASMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6321009 0.78 LMNA (0.40) LMNASMN1; SMN2GAAKDM4EALDH1A1
SCHEMBL6321113 0.76 GAA (0.40) LMNASMN1; SMN2GAAALDH1A1MAPT
SCHEMBL6689841 0.75 ALOX5 (0.34) LMNASMN1; SMN2GAARAB9AALDH1A1
SCHEMBL6318225 0.75 SLC6A2 (0.38) LMNASMN1; SMN2
SCHEMBL6689299 0.75 LMNA (0.35) LMNASMN1; SMN2GAARAB9AKDM4E

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-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed