SCHEMBL9867239

SCHEMBL9867239

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)NCCN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.39
MCHR1 Q99705 4/20 0.39
KCNH2 Q12809 5/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.35
AVPR1B P47901 1/20 0.35

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
SCHEMBL9601550 0.86 HRH3 (0.40) HRH3MCHR1DRD2
SCHEMBL9601997 0.85 HRH3 (0.39) HRH3DRD2
SCHEMBL9602165 0.84 HRH3 (0.41) HRH3MCHR1DRD2
SCHEMBL9602826 0.83 ATM (0.48)
SCHEMBL9602367 0.82 ATM (0.47) DRD2
SCHEMBL9602957 0.81 PTGS1 (0.42)
SCHEMBL9602428 0.81 HRH3 (0.41) HRH3MCHR1DRD2
SCHEMBL9602093 0.80 HRH3 (0.39) HRH3DRD2
Fumaric Acid SCHEMBL9866109 0.79 HRH3 (0.37) HRH3
SCHEMBL9602470 0.79 KDM4E (0.51) DRD2

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