SCHEMBL4775002

SCHEMBL4775002

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HRH3 Q9Y5N1 4/20 0.50
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ACKR3 P25106 1/20 0.46

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 SCHEMBL4765215 0.94 SMN1; SMN2 (0.47) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL4794145 0.87 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2HRH3
SCHEMBL4793943 0.85 ABCB1 (0.55) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL4770901 0.85 HRH3 (0.56) RAB9ANPC1MAPTSMN1; SMN2HRH3
SCHEMBL5823896 0.84 HRH3 (0.54) RAB9ANPC1MAPTSMN1; SMN2HRH3
SCHEMBL4772566 0.83 RAB9A (0.57) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL4774177 0.82 HRH3 (0.69) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL4770900 0.82 HRH3 (0.56) RAB9ANPC1MAPTSMN1; SMN2HRH3
SCHEMBL4771503 0.82 HRH3 (0.56) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL4767326 0.82 RAB9A (0.71) RAB9ANPC1MAPTGAASMN1; 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