SCHEMBL8325617

SCHEMBL8325617

c1ccc(COc2ccccc2CCCc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.55
PTGER4 P35408 2/20 0.55
PTGER3 P43115 2/20 0.55
PTGER2 P43116 2/20 0.55
HTR1A P08908 4/20 0.51
DRD2 P14416 4/20 0.51
ABCB1 P08183 9/20 0.48
MGLL Q99685 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.42
DHFR P00374 1/20 0.39
HTT P42858 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38

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
SCHEMBL8408170 0.93 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8320664 0.93 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323974 0.86 HTR1A (0.43) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8325042 0.86 ABCB1 (0.46) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8409574 0.81 HTR1A (0.45) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321903 0.81 HTR1A (0.48) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323370 0.81 ABCB1 (0.50) HTR1ADRD2ABCB1ABCG2HTT
SCHEMBL6962342 0.81 MAOB (0.43)
SCHEMBL8322241 0.80 HTR1A (0.44) PTGER1HTR1ADRD2ABCB1ABCG2
SCHEMBL8405902 0.80 HTR1A (0.44) PTGER1HTR1ADRD2ABCB1ABCG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed