SCHEMBL4772145

SCHEMBL4772145

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
PTGS1 P23219 2/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
KCNK3 O14649 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
P2RX1 P51575 1/20 0.51
TRPV4 Q9HBA0 1/20 0.50
ESR1 P03372 1/20 0.50
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL4775421 0.96 KCNK3 (0.51) MAPK14PTGS1LMNAMAPTKCNK3
SCHEMBL4768203 0.89 TRPV4 (0.59) PTGS1MAPTHTTRAB9AKMT2A
SCHEMBL4772670 0.86 NPC1 (0.71) MAPK14LMNAMAPTKCNK3HTT
Trifluoroacetic Acid SCHEMBL4774281 0.86 SLC2A1 (0.58) MAPTHTTRAB9AKMT2ANPC1
SCHEMBL4772154 0.84 NPC1 (0.52) LMNAMAPTHTTRAB9AKMT2A
SCHEMBL4767344 0.84 TDP1 (0.58) MAPK14LMNAMAPTKCNK3HTT
Trifluoroacetic Acid SCHEMBL4770822 0.82 RAB9A (0.53) MAPK14LMNAMAPTKCNK3RAB9A
Trifluoroacetic Acid SCHEMBL4770267 0.82 HRH3 (0.57) HTTRAB9AKMT2ANPC1NFKB1
SCHEMBL4765222 0.82 HRH3 (0.52) MAPTRAB9ASMN1; SMN2TRPV4
SCHEMBL4773028 0.82 RAB9A (0.60) MAPK14LMNAMAPTKCNK3RAB9A

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
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed