SCHEMBL9013963

SCHEMBL9013963

Cc1ccc2c(c1)[C@]1(C)CCN(CCc3ccccc3)[C@@H]1N2C

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.64
ACHE P22303 5/20 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
SCHEMBL9537191 0.87 BCHE (0.66) BCHEACHE
SCHEMBL8827805 0.87 BCHE (0.66) BCHEACHE
SCHEMBL8827803 0.87 BCHE (0.66) BCHEACHE
SCHEMBL9539843 0.85 BCHE (0.72) BCHEACHE
SCHEMBL8863731 0.85 BCHE (0.72) BCHEACHE
SCHEMBL8863723 0.85 BCHE (0.72) BCHEACHE
Hydrochloric Acid SCHEMBL9538512 0.84 BCHE (0.71) BCHEACHE
SCHEMBL12059934 0.81 BCHE (0.84) BCHEACHE
Salicylic Acid SCHEMBL9538396 0.79 BCHE (0.61) BCHEACHE
SCHEMBL12059937 0.77 BCHE (0.86) BCHEACHE

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-5547977-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-20 US disclosed