SCHEMBL9219781

SCHEMBL9219781

CC1CN(c2ccc(Cl)nn2)CCN1CCCOc1ccc(C2=NCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.50
KCNH2 Q12809 3/20 0.50
LTA4H P09960 1/20 0.45
ACKR3 P25106 1/20 0.39
KMT2A Q03164 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
PANK3 Q9H999 2/20 0.36
HTR3A P46098 3/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL9214015 0.84 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH2
SCHEMBL9211253 0.73 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH2
SCHEMBL9211677 0.73 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH2
SCHEMBL9216760 0.73 HRH3 (0.61) HRH3KCNH2LTA4HACKR3HRH2
SCHEMBL9218018 0.72 KCNH2 (0.44) HRH3KCNH2LTA4HACKR3KMT2A
SCHEMBL9217275 0.69 HRH3 (0.65) HRH3KCNH2LTA4HACKR3HRH2
SCHEMBL15004835 0.68 DRD2 (0.52) HRH3HRH2HRH1
SCHEMBL9213571 0.68 HRH3 (0.65) HRH3KCNH2LTA4HACKR3
SCHEMBL9668080 0.68 HRH3 (0.68) HRH3KCNH2LTA4HACKR3
SCHEMBL237088 0.67 HRH3 (0.66) HRH3KCNH2HRH2HRH1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed