SCHEMBL4187799

SCHEMBL4187799

O=C1CCCN1N1CCOC[C@H]1Cc1c(Cl)cc(OCc2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MAOB P27338 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.37
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 3/20 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
SCHEMBL4180585 0.73 S1PR5 (0.40) SMN1; SMN2NPC1RAB9AS1PR1PRKX
SCHEMBL1093210 0.71 PRKDC (0.42) PRKDCALDH1A1MAOBHPGDSMN1; SMN2
SCHEMBL1093208 0.71 PRKDC (0.42) PRKDCALDH1A1MAOBHPGDSMN1; SMN2
SCHEMBL4174224 0.69 S1PR1 (0.35) NPC1RAB9AS1PR1PRKXACVR1
SCHEMBL5507807 0.68 HRH3 (0.39) MAOBSMN1; SMN2NPC1RAB9AS1PR1
SCHEMBL4067724 0.67 HRH3 (0.39) MAOBS1PR1PRKXACVR1S1PR5
SCHEMBL15867082 0.65 PRKDC (0.55) PRKDCALDH1A1MAOBHPGDSMN1; SMN2
SCHEMBL4239367 0.65 KMT2A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL474723 0.64 HSD11B1 (0.48) MAOBHPGDNPC1RAB9AS1PR1
SCHEMBL1092839 0.64 NPC1 (0.49) SMN1; SMN2NPC1RAB9AS1PR1PRKX

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-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed