SCHEMBL5089006

SCHEMBL5089006

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 2/20 0.50
ADRB1 P08588 1/20 0.50
BPTF Q12830 1/20 0.50
LMNA P02545 1/20 0.50
KCNH2 Q12809 4/20 0.49
C1S P09871 1/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
HRH1 P35367 1/20 0.46
DHFR P00374 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9312192 0.85 KCNH2 (0.53) ALDH1A1ADRB1KCNH2C1SMAPT
SCHEMBL9312010 0.82 ADRB1 (0.50) ALDH1A1ADRB1KCNH2C1SMAPT
SCHEMBL9310193 0.82 ADRB1 (0.50) ALDH1A1ADRB1LMNAKCNH2C1S
SCHEMBL9310734 0.82 ADRB1 (0.50) ALDH1A1ADRB1LMNAKCNH2C1S
SCHEMBL9311673 0.82 ADRB1 (0.50) ALDH1A1ADRB1LMNAKCNH2C1S
SCHEMBL992823 0.81 DPP4 (0.51) ALDH1A1ADRB1KCNH2C1SMAPT
Hydrochloric Acid SCHEMBL9311875 0.81 C1S (0.51) ALDH1A1ADRB1KCNH2C1SMAPT
SCHEMBL9310755 0.80 KCNH2 (0.49) ALDH1A1ADRB1KCNH2C1SMAPT
SCHEMBL9310502 0.79 MAPT (0.57) CYP1A2ALDH1A1BPTFLMNAMAPT
SCHEMBL11103700 0.79 ADRB1 (0.74) ALDH1A1ADRB1KCNH2C1SMAPT

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 8 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
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed