SCHEMBL9602830

SCHEMBL9602830

O=C1CC2CCc3ccccc3C2=NN1c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.48
ACHE P22303 5/20 0.45
HTR1A P08908 2/20 0.45
KCNH2 Q12809 3/20 0.44
CACNA1B Q00975 1/20 0.43

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
SCHEMBL9601558 0.94 MAOB (0.46) HRH3ACHEHTR1A
SCHEMBL9865829 0.92 HRH3 (0.40) HRH3ACHEHTR1A
SCHEMBL9866888 0.87 MAPT (0.41) HRH3
Maleic Acid SCHEMBL9602897 0.82 HRH3 (0.44) HRH3ACHEHTR1AKCNH2
Fumaric Acid SCHEMBL9602903 0.82 HRH3 (0.44) HRH3ACHEHTR1AKCNH2
Hydrochloric Acid SCHEMBL9602451 0.79 MAPK14 (0.46) HRH3HTR1AKCNH2
Hydrochloric Acid SCHEMBL9602446 0.79 MAPK14 (0.46) HRH3HTR1AKCNH2
Hydrochloric Acid SCHEMBL9865621 0.78 HRH3 (0.46) HRH3
Hydrochloric Acid SCHEMBL9866019 0.78 DRD2 (0.44) HRH3
Hydrochloric Acid SCHEMBL9865627 0.78 HRH3 (0.46) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
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