SCHEMBL29956257

SCHEMBL29956257

CCN(C)c1cccc(B(O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.39
▸ AOC3 Q16853 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ PDE10A Q9Y233 2/20 0.30
▸ ACACB O00763 1/20 0.30
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 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
SCHEMBL29958509 0.84 CNR1 (0.36) CNR1AOC3
SCHEMBL29953352 0.81 NCF1 (0.39) CNR1PDE10AACACB
SCHEMBL15761511 0.80 CNR1 (0.42) CNR1HRH3MAP2K1ACACBHCRTR1
SCHEMBL25226261 0.76 CNR1 (0.41) CNR1AOC3MAP2K1ACACBHCRTR1
SCHEMBL9447425 0.73 CCR1 (0.48) CNR1
SCHEMBL3276573 0.72 NOS1 (0.40) CNR1PDE10A
SCHEMBL16114069 0.72 CNR1 (0.44) CNR1
SCHEMBL1110998 0.72 HTR7 (0.42) CNR1HCRTR1HCRTR2
SCHEMBL20067383 0.71 ENPP2 (0.36) —
SCHEMBL19065189 0.70 KDM4E (0.53) CNR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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