SCHEMBL7799604

SCHEMBL7799604

O=C(NC1CC2CCC(C1)N2)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRNA7 P36544 1/20 0.54
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
HTR4 Q13639 2/20 0.50
HPGD P15428 1/20 0.50
GRM5 P41594 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
EZH2 Q15910 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
OPRM1 P35372 1/20 0.47

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
SCHEMBL6824566 0.84 MEN1 (0.61) MEN1KMT2ANPC1RAB9ACHRNA7
SCHEMBL4780786 0.82 GRM5 (0.68) MEN1KMT2AHPGDGRM5
SCHEMBL6820719 0.82 GRM5 (0.68) MEN1KMT2ANPC1RAB9AGRM5
SCHEMBL17627163 0.80 NPC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL124395 0.80 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2230140 0.80 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12337039 0.79 CHRM1 (0.62) ALDH1A1LMNAHTTHPGDNPSR1
SCHEMBL13162023 0.78 NPC1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12012227 0.78 GAA (0.54) MEN1KMT2ANPC1SMN1; SMN2ATM
Bicarbonate SCHEMBL11025569 0.78 NPC1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-0975631-B1 5-ARYL-3-(8-AZABICYCLO[3.2.1]OCT-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AS 5-HT4 RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2001-10-04 EP disclosed
US-6255319-B1 ANTISEROTONIN AGENT SANOFI-SYNTHELABO (FR) 2001-07-03 US disclosed