SCHEMBL9219478

SCHEMBL9219478

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
ENPP1 P22413 2/20 0.38
CYP11B2 P19099 1/20 0.38
TYMP P19971 2/20 0.38
OGA O60502 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
DRD2 P14416 2/20 0.37
CHRM3 P20309 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCND2 P30279 2/20 0.37
CCND3 P30281 2/20 0.37
MAPT P10636 2/20 0.37
AKR1C3 P42330 1/20 0.37
SMO Q99835 1/20 0.37

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
SCHEMBL9220710 0.86 HRH3 (0.45) HRH3ENPP1OGACHRM2MAPT
SCHEMBL9214671 0.83 HRH3 (0.46) HRH3ENPP1TYMPOGAMAPT
SCHEMBL15548336 0.78 HRH3 (0.54) HRH3OGASMO
SCHEMBL21626550 0.75 HRH3 (0.52) HRH3OGAMAPTSMO
SCHEMBL4890873 0.74 LMNA (0.55) HRH3OGAMAPTSMO
SCHEMBL9197797 0.73 CYP11B2 (0.48) CYP11B2OGACDK4CCND1CCND2
SCHEMBL15941097 0.73 MAP4K4 (0.48) HRH3TYMP
SCHEMBL31514107 0.72 HRH3 (0.48) HRH3OGAMAPT
SCHEMBL9194234 0.72 LMNA (0.56) CYP11B2
SCHEMBL3635646 0.70 BPTF (0.47) HRH3OGADRD2DRD4DRD3

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
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
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed