SCHEMBL7977555

SCHEMBL7977555

C[C@H](Oc1ccc(N)cc1Cl)c1nnc(-c2ccccc2Cl)n1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.49
PLA2G7 Q13093 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
HSD11B2 P80365 1/20 0.38

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
SCHEMBL7977558 0.90 HSD11B1 (0.49) HSD11B1PLA2G7NPC1ALDH1A1LMNA
SCHEMBL7982107 0.87 HSD11B1 (0.52) HSD11B1HSD11B2
SCHEMBL7984073 0.84 HSD11B1 (0.44) HSD11B1LMNA
SCHEMBL12671007 0.84 HSD11B1 (0.46) HSD11B1NPC1ALDH1A1LMNARAB9A
SCHEMBL7977548 0.82 HSD11B1 (0.47) HSD11B1NPC1ALDH1A1LMNARAB9A
SCHEMBL7984122 0.78 HSD11B1 (0.47) HSD11B1NPC1ALDH1A1LMNARAB9A
SCHEMBL7979284 0.77 HSD11B1 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2
SCHEMBL12671008 0.77 HSD11B1 (0.46) HSD11B1ALDH1A1
SCHEMBL7981679 0.75 HSD11B1 (0.53) HSD11B1
SCHEMBL7979418 0.75 HSD11B1 (0.50) HSD11B1

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-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed