SCHEMBL9218090

SCHEMBL9218090

Cc1ccc(N2CCC(C(C)COc3ccc(C(=O)OCC4CC4)cc3)CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
NR1I2 O75469 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
KMT2A Q03164 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL9220052 0.84 KMT2A (0.47) HRH3KMT2AKDM4EMAPTLMNA
SCHEMBL14191673 0.83 NR1I2 (0.48) HRH3NR1I2GPR119KDM4EMAPT
SCHEMBL9473825 0.79 HRH3 (0.45) HRH3GPR119KMT2AKDM4EDRD2
Pirodavir SCHEMBL146440 0.77 HRH3 (0.46) HRH3NR1I2GPR119KMT2AKDM4E
SCHEMBL10587981 0.77 DGAT1 (0.36) KDM4EALDH1A1HPGDGLS
SCHEMBL10588331 0.75 MEN1 (0.49) HRH3NR1I2GPR119KMT2AKDM4E
SCHEMBL9214819 0.75 MAPT (0.43) HRH3GPR119KMT2AKDM4EMAPT
SCHEMBL10588330 0.75 MEN1 (0.49) HRH3NR1I2GPR119KMT2AKDM4E
SCHEMBL9214586 0.73 LMNA (0.46) GPR119KMT2AJMJD6LMNACHRNB2
SCHEMBL9216214 0.71 GAA (0.46) HRH3KMT2AMAPTLMNAALDH1A1

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 6 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
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN 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
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed