SCHEMBL7726446

SCHEMBL7726446

O=C(O)CCOc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.68
TSHR P16473 1/20 0.64
ACHE P22303 1/20 0.64
RAD52 P43351 1/20 0.64

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
SCHEMBL10400554 0.83 FAAH (0.60) HRH3
SCHEMBL16795357 0.80 HRH3 (0.74) HRH3TSHRACHERAD52
SCHEMBL27760041 0.80 HRH3 (0.76) HRH3TSHRACHERAD52
SCHEMBL30777699 0.80 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL3571025 0.80 HRH3 (0.79) HRH3TSHRACHERAD52
SCHEMBL3580727 0.80 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL28036344 0.79 HRH3 (0.59) HRH3
SCHEMBL6471513 0.79 HRH3 (0.75) HRH3ACHERAD52
Jnj-5207852 SCHEMBL3577334 0.78 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL3572587 0.78 HRH3 (1.00) HRH3TSHRACHERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed