SCHEMBL9866182

SCHEMBL9866182

Cc1cc2c(cc1C)C1=NN(c3ccc(OCC(C)CN(C)C)cc3)C(=O)CC1CC2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
S1PR1 P21453 4/20 0.30
S1PR3 Q99500 4/20 0.30

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
SCHEMBL9865917 0.90 MAOA (0.34) ACHEHRH3S1PR1S1PR3
SCHEMBL9601960 0.88 CDK4 (0.34) ACHES1PR1S1PR3
SCHEMBL9603188 0.88 MAPT (0.37) ACHEHRH3
Hydrochloric Acid SCHEMBL9602310 0.87 S1PR1 (0.33) ACHES1PR1S1PR3
Maleic Acid SCHEMBL9866351 0.84 ALDH1A1 (0.33) S1PR1S1PR3
Fumaric Acid SCHEMBL9866359 0.84 ALDH1A1 (0.33) S1PR1S1PR3
SCHEMBL9867304 0.81 MAOA (0.35) ACHEHRH3
SCHEMBL9602137 0.80 S1PR1 (0.32) ACHES1PR1S1PR3
SCHEMBL9602515 0.79 ALDH1A1 (0.33) ACHE
SCHEMBL9868430 0.79 TOP1 (0.35) ACHEHRH3S1PR1S1PR3

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