SCHEMBL18590807

SCHEMBL18590807

CC(C)(C)C(c1ccc(Cc2ccc(N(CO)CN(CNc3ccc(Cc4ccc(N(C(C)(C)C)C(C)(C)C)cc4)cc3)c3ccc(Cc4ccc(N(C(C)(C)C)C(C)(C)C)cc4)cc3)cc2)cc1)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.30

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
SCHEMBL17933705 1.00 CNR2 (0.30) CNR2
SCHEMBL17693520 0.91 CNR2 (0.33) CNR2
SCHEMBL17366452 0.82 ALDH1A1 (0.33) CNR2
SCHEMBL17348254 0.73 CNR2 (0.33) CNR2
SCHEMBL17343555 0.70 MAPT (0.42)
SCHEMBL19002876 0.70 MAPT (0.42)
SCHEMBL18098044 0.68 ALDH1A1 (0.32)
SCHEMBL17634991 0.67 ALDH1A1 (0.39) CNR2
SCHEMBL20506762 0.63 ALDH1A1 (0.33)
SCHEMBL19646065 0.63 APP (0.46)

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-20170066662-A1 METHODS AND APPARATUS FOR CONTROLLING METALS IN LIQUIDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-03-09 US disclosed