SCHEMBL5088940

SCHEMBL5088940

Cc1cccc(N2CCN(c3ccc(OCCOCCN)nn3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
DHFR P00374 2/20 0.41
DPP4 P27487 3/20 0.41
C1S P09871 1/20 0.39
ADRB1 P08588 1/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PHGDH O43175 1/20 0.36
MAPK1 P28482 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL9309910 0.84 RAB9A (0.50) KCNH2DHFRDPP4C1SADRB1
SCHEMBL14191683 0.83 FBP1 (0.39) KCNH2DPP4MAPTALDH1A1KDM4E
SCHEMBL5139008 0.81 KCNH2 (0.39) KCNH2DHFRDPP4MAPTKDM4E
SCHEMBL992823 0.80 DPP4 (0.51) KCNH2DHFRDPP4C1SADRB1
SCHEMBL14191682 0.79 HTR2A (0.41) KCNH2MAPTALDH1A1KDM4E
SCHEMBL9310603 0.79 KCNH2 (0.47) KCNH2DHFRDPP4ADRB1MAPT
SCHEMBL9312087 0.75 KCNH2 (0.46) KCNH2DHFRDPP4C1SADRB1
SCHEMBL9312192 0.73 KCNH2 (0.53) KCNH2DHFRDPP4C1SADRB1
SCHEMBL9310505 0.72 DPP4 (0.43) KCNH2DHFRDPP4C1SADRB1
Hydrochloric Acid SCHEMBL9311875 0.72 C1S (0.51) KCNH2DHFRDPP4C1SADRB1

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
US-7371755-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2008-05-13 US disclosed
EP-1214317-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2002-06-19 EP disclosed
WO-2001019822-A1 ANTIVIRAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2001-03-22 WO disclosed