SCHEMBL16701977

SCHEMBL16701977

BrCCCOc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.74
TSHR P16473 1/20 0.74
ACHE P22303 1/20 0.74
RAD52 P43351 1/20 0.74

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
SCHEMBL28760646 0.94 HRH3 (0.70) HRH3TSHRACHERAD52
SCHEMBL3571025 0.87 HRH3 (0.79) HRH3TSHRACHERAD52
Jnj-5207852 SCHEMBL3577334 0.85 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL3580340 0.85 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL3572587 0.85 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL16702209 0.84 HRH3 (0.68) HRH3TSHRACHERAD52
SCHEMBL10661541 0.84 HRH3 (0.74) HRH3TSHRACHERAD52
SCHEMBL3580727 0.83 HRH3 (1.00) HRH3TSHRACHERAD52
SCHEMBL30777699 0.83 HRH3 (1.00) HRH3TSHRACHERAD52
Hydrochloric Acid SCHEMBL16702258 0.83 HRH3 (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
CN-100384850-C Galantamine derivative and its prepn process and use UNIV ZHEJIANG (CN) 2008-04-30 CN disclosed
CN-1847246-A Galantamine derivative and its prepn process and use UNIV ZHEJIANG (CN) 2006-10-18 CN disclosed