SCHEMBL3669973

SCHEMBL3669973

CN(Cc1cccc(Br)n1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
FAAH O00519 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
GRM5 P41594 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 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
SCHEMBL3747791 0.81 NPC1 (0.40) HPGDNPC1RAB9ACA12CA9
SCHEMBL67697 0.80 MEN1 (0.42) HPGDFAAHNPC1RAB9AKMT2A
SCHEMBL3511518 0.79 HTR2C (0.45) CHRNB2CHRNA4HTR7HTR2A
SCHEMBL3511520 0.78 FAAH (0.36) HPGDFAAHKMT2AMEN1ALDH1A1
SCHEMBL5846680 0.78 HTR7 (0.47) FAAHALDH1A1CHRNB2CHRNA4HTR7
SCHEMBL29786265 0.78 HTR7 (0.47) FAAHALDH1A1CHRNB2CHRNA4HTR7
SCHEMBL107426 0.75 HDAC1 (0.41) HPGDFAAHKMT2AMEN1ALDH1A1
SCHEMBL19208448 0.74 CFD (0.53) NPC1RAB9AKMT2ACHRNB2CHRNA4
SCHEMBL5348846 0.74 TRPV3 (0.34) HPGDFAAHKMT2AMEN1ALDH1A1
SCHEMBL5344489 0.73 FAAH (0.33) HPGDFAAHKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed