SCHEMBL4449286

SCHEMBL4449286

O=C(O)CC1CNCCN1C(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
IGF1R P08069 1/20 0.40
OPRM1 P35372 4/20 0.39
OPRK1 P41145 3/20 0.38
OPRL1 P41146 2/20 0.38
SLC6A9 P48067 2/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL27402701 0.78 MEN1 (0.51) OPRD1MEN1KMT2AOPRM1
SCHEMBL8051571 0.75 MEN1 (0.47) OPRD1MEN1KMT2AOPRM1
SCHEMBL9684251 0.75 ALDH1A1 (0.44) OPRD1KMT2AOPRM1OPRK1OPRL1
SCHEMBL9842210 0.74 OPRD1 (0.38) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL9842205 0.73 OPRD1 (0.43) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL9842287 0.73 OPRD1 (0.39) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL6634453 0.73 HRH1 (0.54) OPRD1OPRM1OPRK1OPRL1SLC6A9
SCHEMBL4275538 0.72 MEN1 (0.44) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL5633854 0.70 OPRD1 (0.50) OPRD1MEN1KMT2AOPRM1NPSR1
Hydrochloric Acid SCHEMBL8693224 0.70 MEN1 (0.42) OPRD1MEN1KMT2A

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-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 EP claimed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 WO claimed