SCHEMBL4777053

SCHEMBL4777053

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.47
CNR1 P21554 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
NFKB1 P19838 2/20 0.47
HTT P42858 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
CYP2D6 P10635 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45

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 SCHEMBL4770314 0.94 HRH3 (0.52) HRH3MEN1KMT2AATMCNR1
SCHEMBL4768212 0.88 NPC1 (0.58) HRH3MEN1KMT2AATMNPC1
SCHEMBL4774646 0.86 HRH3 (0.67) HRH3NPC1RAB9ATP53NFKB1
SCHEMBL4770633 0.84 HRH3 (0.64) HRH3MEN1KMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL4770456 0.84 NPC1 (0.52) HRH3MEN1KMT2AATMNPC1
SCHEMBL4767370 0.82 MEN1 (0.58) HRH3MEN1KMT2AATMNPC1
SCHEMBL4770555 0.82 NPC1 (0.51) HRH3MEN1KMT2AATMNPC1
SCHEMBL4771157 0.81 KMT2A (0.56) HRH3MEN1KMT2ANPC1RAB9A
Trifluoroacetic Acid SCHEMBL4765533 0.81 HRH3 (0.61) HRH3NPC1RAB9ATP53NFKB1
SCHEMBL4768583 0.81 TMPRSS2 (0.62) MEN1KMT2AATMCNR1NPC1

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