SCHEMBL5262282

SCHEMBL5262282

CC(C)N(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 4/20 0.44
HTR2C P28335 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
PTGES O14684 1/20 0.43
PARP1 P09874 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL7783953 0.85 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1HTR2CSMN1; SMN2
SCHEMBL4438550 0.84 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2LMNA
SCHEMBL2176096 0.84 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1SMN1; SMN2LMNA
SCHEMBL2173334 0.81 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2PTGES
SCHEMBL7703944 0.80 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1HTR2CSMN1; SMN2
SCHEMBL3933066 0.79 HTR2C (0.47) ALDH1A1HTR2CSMN1; SMN2LMNATP53
SCHEMBL16934132 0.79 ALDH1A1 (0.47) ALDH1A1HTR2CSMN1; SMN2LMNATP53
SCHEMBL2850199 0.79 HTR2C (0.47) ALDH1A1HTR2CSMN1; SMN2LMNATP53
SCHEMBL578453 0.79 ALDH1A1 (0.47) ALDH1A1HTR2CSMN1; SMN2LMNATP53
SCHEMBL2543696 0.79 ALDH1A1 (0.63) ALDH1A1HTR2CSMN1; SMN2LMNATP53

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed