SCHEMBL3673014

SCHEMBL3673014

O=C(Cc1ccc(CC(=O)N2CCNCC2)cc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HSD11B1 P28845 1/20 0.50
DPP4 P27487 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GFER P55789 1/20 0.49
ATM Q13315 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ME2 P23368 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
SCHEMBL8934908 0.93 ME2 (0.57) SMN1; SMN2HPGDNPC1POLBMAPT
SCHEMBL24819373 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HPGDNPC1POLBMAPT
SCHEMBL13858035 0.91 SMN1; SMN2 (0.73) SMN1; SMN2HPGDNPC1POLBMAPT
Hydrochloric Acid SCHEMBL9951192 0.91 ME2 (0.56) SMN1; SMN2HPGDNPC1POLBMAPT
SCHEMBL8908929 0.91 POLB (0.67) SMN1; SMN2HPGDNPC1POLBMAPT
SCHEMBL4671683 0.91 GFER (0.61) SMN1; SMN2HPGDNPC1MEN1KMT2A
SCHEMBL27253358 0.91 MEN1 (0.65) SMN1; SMN2HPGDNPC1POLBMEN1
SCHEMBL92506 0.90 L3MBTL1 (0.63) SMN1; SMN2HPGDPOLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL21681605 0.89 POLB (0.65) SMN1; SMN2HPGDNPC1POLBMAPT
SCHEMBL9090627 0.89 L3MBTL1 (0.61) SMN1; SMN2HPGDPOLBMAPTL3MBTL1

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-2139461-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER Recepticon Aps (DK) 2010-01-06 EP disclosed
WO-2008113364-A2 AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER RECEPTICON APS (DK) 2008-09-25 WO disclosed