SCHEMBL8041567

SCHEMBL8041567

CNC(=N)N1CCC(CNS(C)(=O)=O)(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
HSD11B1 P28845 1/20 0.41
P2RX7 Q99572 2/20 0.40
SLC6A4 P31645 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8333396 0.78 TACR1 (0.54) TACR1HSD11B1
SCHEMBL373753 0.73 TACR1 (0.46) TACR1HSD11B1SLC6A4SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8331548 0.72 TACR1 (0.45) TACR1HSD11B1SLC6A4SMN1; SMN2LMNA
SCHEMBL14347735 0.67 ALDH1A1 (0.42) HSD11B1SLC6A4SMN1; SMN2SLC6A2SLC6A3
SCHEMBL5571567 0.66 P2RX7 (0.56) TACR1P2RX7SMN1; SMN2LMNAL3MBTL1
SCHEMBL31417144 0.66 MAOA (0.53) HSD11B1P2RX7SLC6A4SLC6A2SLC6A3
SCHEMBL2190767 0.65 TP53 (0.42) TACR1P2RX7SMN1; SMN2LMNAKMT2A
SCHEMBL14347748 0.65 SLC6A4 (0.41) P2RX7SLC6A4SMN1; SMN2SLC6A2SLC6A3
SCHEMBL13059781 0.65 KCNA3 (0.54) TACR1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL13059779 0.64 CYP3A4 (0.56) HSD11B1MEN1KMT2AMAPK1OPRM1

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
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed