SCHEMBL11030592

SCHEMBL11030592

CCCCC[C@H]1CC[C@@H]2C[C@H](c3ccccc3)CC[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL6453957 1.00 CFTR (0.39) CFTRDRD2
SCHEMBL6453962 1.00 CFTR (0.39) CFTRDRD2
SCHEMBL6456109 1.00 CFTR (0.39) CFTRDRD2
SCHEMBL6458084 0.99 CFTR (0.41) CFTRDRD2
SCHEMBL6458082 0.99 CFTR (0.41) CFTRDRD2
SCHEMBL11029701 0.99 CFTR (0.41) CFTRDRD2
SCHEMBL6458242 0.99 CFTR (0.41) CFTRDRD2
SCHEMBL6458244 0.99 CFTR (0.41) CFTRDRD2
SCHEMBL6451911 0.95 DRD2 (0.40) DRD2
SCHEMBL6451908 0.95 DRD2 (0.40) DRD2

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-4432885-A Decalins HOFFMANN-LA ROCHE INC. (US) 1984-02-21 US disclosed