SCHEMBL9220710

SCHEMBL9220710

O=c1ccc(N2CCC(CCCCl)CC2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.45
OGA O60502 2/20 0.40
MAPT P10636 2/20 0.39
SMO Q99835 2/20 0.39
ENPP1 P22413 4/20 0.37
GPR84 Q9NQS5 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR3A P46098 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9214671 0.92 HRH3 (0.46) HRH3OGAMAPTSMOENPP1
SCHEMBL9219478 0.86 HRH3 (0.47) HRH3OGAMAPTSMOENPP1
SCHEMBL21626550 0.75 HRH3 (0.52) HRH3OGAMAPTSMOKMT2A
SCHEMBL15548336 0.75 HRH3 (0.54) HRH3OGASMOEPHX2KMT2A
SCHEMBL9200963 0.73 LMNA (0.54) KMT2A
SCHEMBL9214199 0.73 OGA (0.39) OGAMAPTKMT2A
SCHEMBL31514107 0.72 HRH3 (0.48) HRH3OGAMAPTEPHX2KMT2A
SCHEMBL4890873 0.71 LMNA (0.55) HRH3OGAMAPTSMOKMT2A
SCHEMBL3635646 0.70 BPTF (0.47) HRH3OGAHTR3A
SCHEMBL9218169 0.69 LMNA (0.52) KMT2A

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
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