SCHEMBL4735565

SCHEMBL4735565

CCCC(C)C(=O)Nc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
HSD17B10 Q99714 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
AGT P01019 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL4735569 0.82 SOAT1 (0.47) AGTR1AGTR2MEN1KMT2ALMNA
SCHEMBL9262004 0.77 AGTR1 (0.46) AGTR1AGTR2TSHRMEN1KMT2A
SCHEMBL9488699 0.76 AGTR1 (0.46) AGTR1AGTR2MEN1KMT2AAGT
SCHEMBL4672053 0.76 AGTR1 (0.47) AGTR1AGTR2AGTNPC1RAB9A
SCHEMBL9084585 0.75 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL4671291 0.74 AGTR1 (0.42) AGTR1AGTR2AGT
SCHEMBL13146764 0.74 AGTR1 (0.55) AGTR1AGTR2TSHRLMNAAGT
SCHEMBL841404 0.74 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL2831925 0.74 AGTR1 (0.46) AGTR1AGTR2AGTALDH1A1
SCHEMBL2831924 0.74 AGTR1 (0.46) AGTR1AGTR2AGTALDH1A1

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-1590343-B1 SYNTHESIS OF 2-BUTYL-3-(2' -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIRO-4,4 -NONENE-4-ONE TEVA PHARMA (IL) 2008-07-16 EP claimed