SCHEMBL9408587

SCHEMBL9408587

Fc1ccc2c(CC3CCN(Cc4ccccc4)C3)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
BACE1 P56817 6/20 0.46
BCHE P06276 5/20 0.46
CCR3 P51677 1/20 0.43
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL8109868 0.80 MAP2K4 (0.42)
SCHEMBL9408690 0.79 ACHE (0.57) ACHEBCHE
SCHEMBL8124362 0.76 SLC6A4 (0.56)
SCHEMBL1812265 0.75 CCR3 (0.59) ACHEBACE1BCHECCR3
SCHEMBL8634398 0.74 MAP2K4 (0.46) SLC6A3
SCHEMBL9772634 0.74 HTR3E (0.52) ACHE
SCHEMBL8108915 0.73 HTR1A (0.62)
SCHEMBL23719076 0.72 CCR3 (0.80) ACHEBCHECCR3
SCHEMBL6218861 0.72 CCR3 (0.80) ACHEBCHECCR3
SCHEMBL8262506 0.72 CCR3 (0.80) ACHEBCHECCR3

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-5348968-A Migraines ADIR ET COMPAGNIE (FR) 1994-09-20 US disclosed
EP-0610134-A1 Indole, indazole and benzisoxazole derivatives as 5-HT1-like agonists ADIR ET COMPAGNIE (FR) 1994-08-10 EP disclosed