SCHEMBL10518263

SCHEMBL10518263

O=C1CN2CC1C(c1nc(C3CC3)no1)C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
HSD11B1 P28845 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL9370169 0.78 CHRM2 (0.55) CHRM2CHRM1
SCHEMBL9451960 0.75 CHRM2 (0.55) CHRM2CHRM1
SCHEMBL9375366 0.75 CHRM2 (0.35) CHRM2CHRM1
Hydrochloric Acid SCHEMBL10518010 0.74 CHRM2 (0.54) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9653117 0.73 CHRM2 (0.64) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9724734 0.73 CHRM2 (0.64) CHRM2CHRM1
SCHEMBL9724726 0.72 CHRM2 (0.35) CHRM2CHRM1HCRTR1HCRTR2HSD11B1
Oxalic Acid SCHEMBL9404516 0.71 CHRM2 (0.48) CHRM2CHRM1
SCHEMBL8873427 0.71 CHRM2 (0.61) CHRM2CHRM1
Fumaric Acid SCHEMBL10441420 0.68 CHRM2 (0.53) CHRM2CHRM1

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
EP-0323864-A2 Lipophilic oxadiazoles MERCK SHARP & DOHME LTD. (GB) 1989-07-12 EP disclosed