SCHEMBL14040581

SCHEMBL14040581

O=C(OCc1ccccc1)N1CCC(=C[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CYP2C19 P33261 1/20 0.51
GRM5 P41594 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
HDAC2 Q92769 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
TGM2 P21980 2/20 0.44
F13A1 P00488 1/20 0.44
TGM1 P22735 1/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
GRIN2B Q13224 3/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 2/20 0.43

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
SCHEMBL7311393 0.81 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9218512 0.81 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL9572627 0.79 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1700533 0.79 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.79 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.79 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.79 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.79 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23276709 0.78 GRM5 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21551374 0.78 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411940-B1 BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2008-10-15 EP disclosed