SCHEMBL4771068

SCHEMBL4771068

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.43
MALT1 Q9UDY8 5/20 0.42
MAPT P10636 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR6 P46095 1/20 0.40
ORAI1 Q96D31 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.40

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 SCHEMBL4765179 0.97 SLC2A1 (0.44) NR1H4MALT1MAPTHRH3TP53
SCHEMBL4765960 0.91 NR1H4 (0.52) NR1H4MALT1MAPTHRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL4770084 0.91 NR1H4 (0.51) NR1H4MALT1MAPTSMN1; SMN2KDM4E
SCHEMBL4765305 0.87 RAB9A (0.48) HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL4774495 0.86 RAB9A (0.47) HRH3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4765164 0.84 MAPT (0.49) MAPTHRH3TP53THRBSMN1; SMN2
SCHEMBL4765384 0.83 MAPT (0.50) MAPTHRH3TP53THRBSMN1; SMN2
SCHEMBL4768108 0.80 NPC1 (0.51) MAPTHRH3TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL4776625 0.79 NPC1 (0.50) MAPTHRH3TP53SMN1; SMN2
SCHEMBL4774462 0.78 RAB9A (0.59) SMN1; SMN2

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