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SCHEMBL8630665

SCHEMBL8630665

CCCC(CCN1CCN(c2ccncc2)CC1)(Oc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.49
▸ HRH1 P35367 4/20 0.48
▸ HRH2 P25021 2/20 0.48
▸ DRD2 P14416 3/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ HTR1A P08908 2/20 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
SCHEMBL7396534 0.85 HRH3 (0.48) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL7400708 0.84 HRH3 (0.54) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL7494779 0.80 HRH3 (0.50) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL8630604 0.79 CYP2C9 (0.43) HRH3HRH1HRH2
SCHEMBL7403776 0.78 ITGB3 (0.53) HRH3
SCHEMBL7402486 0.78 HRH3 (0.48) HRH3HRH1HRH2DRD2HTR1A
SCHEMBL8635833 0.74 CYP2C9 (0.45) HRH3HRH1HRH2
Hydrochloric Acid SCHEMBL8681089 0.73 CYP2C9 (0.44) HRH3HRH1HRH2
Hydrochloric Acid SCHEMBL8637474 0.73 CYP2C9 (0.44) HRH3HRH1HRH2
SCHEMBL8637843 0.73 HRH3 (0.60) HRH3HRH1HRH2DRD2SIGMAR1

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 — — US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 — — US disclosed