SCHEMBL9866367

SCHEMBL9866367

CN(C)CCCOc1ccc2c(c1)CCc1cc(=O)n(-c3ccccn3)nc1-2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.52
HTR1A P08908 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
DRD3 P35462 2/20 0.48
HTR3A P46098 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC11A2 P49281 1/20 0.41
TOP2A P11388 2/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL9865616 0.82 HTR1A (0.59) HRH3HTR1ADRD4HTR2AHTR2C
SCHEMBL9866440 0.76 MCHR1 (0.40) HRH3HTR1ADRD4HTR2AHTR2C
SCHEMBL9866278 0.75 HRH3 (0.47) HRH3MEN1KMT2ACACNA1B
SCHEMBL9602082 0.72 HRH3 (0.45) HRH3KMT2ADRD2CACNA1B
SCHEMBL9866508 0.72 HTR1A (0.43) HRH3HTR1ADRD4HTR2AHTR2C
SCHEMBL1374617 0.69 HRH3 (1.00) HRH3HTR3A
SCHEMBL1374619 0.69 HRH3 (1.00) HRH3HTR3A
SCHEMBL14287611 0.68 MAOB (0.69) HRH3
SCHEMBL14310794 0.67 HRH3 (0.72) HRH3HTR3A
SCHEMBL27236993 0.65 DRD3 (1.00) HRH3HTR1ADRD4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed