SCHEMBL9601558

SCHEMBL9601558

CN1CCN(CCCOc2ccc(N3N=C4c5ccccc5CCC4CC3=O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH3 Q9Y5N1 5/20 0.42
ACHE P22303 3/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
BCHE P06276 1/20 0.42
DRD3 P35462 2/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL9602830 0.94 HRH3 (0.48) HRH3ACHEHTR1A
SCHEMBL9865829 0.91 HRH3 (0.40) MAOBHRH3ACHEHTR1AHTR7
SCHEMBL9866888 0.86 MAPT (0.41) NPC1RAB9AHRH3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9866019 0.79 DRD2 (0.44) HRH3DRD2
Hydrochloric Acid SCHEMBL9866011 0.79 DRD2 (0.44) HRH3DRD2
Hydrochloric Acid SCHEMBL9865621 0.79 HRH3 (0.46) HRH3USP2
Hydrochloric Acid SCHEMBL9865627 0.79 HRH3 (0.46) HRH3USP2
Hydrochloric Acid SCHEMBL9602451 0.78 MAPK14 (0.46) HRH3HTR1AHTR7HTR6DRD3
Hydrochloric Acid SCHEMBL9602446 0.78 MAPK14 (0.46) HRH3HTR1AHTR7HTR6DRD3
Maleic Acid SCHEMBL9602897 0.78 HRH3 (0.44) HRH3ACHEHTR1A

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