SCHEMBL248697

SCHEMBL248697

CCOc1cc2ccc(OC3CC4CCC(C3)N4C(=O)OC(C)(C)C)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 1/20 0.46
GPR119 Q8TDV5 4/20 0.42
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CA9 Q16790 2/20 0.38
GLA P06280 3/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL14687597 0.90 MAOB (0.43) MAOBMAOAGPR119ALDH1A1RAB9A
SCHEMBL220638 0.88 MAOB (0.46) MAOBMAOAGPR119ALDH1A1CHRM2
SCHEMBL220637 0.88 MAOB (0.46) MAOBMAOAGPR119ALDH1A1CHRM2
SCHEMBL15304583 0.86 SLC6A2 (0.48) MAOBMAOAGPR119ALDH1A1CHRM2
SCHEMBL741083 0.86 SLC6A2 (0.48) MAOBMAOAGPR119ALDH1A1CHRM2
SCHEMBL741084 0.86 SLC6A2 (0.48) MAOBMAOAGPR119ALDH1A1CHRM2
SCHEMBL1091835 0.85 MAOB (0.44) MAOBMAOAGPR119CHRM2CHRM1
SCHEMBL3183936 0.85 MAOB (0.44) MAOBMAOAGPR119ALDH1A1RAB9A
SCHEMBL1091288 0.85 MAOB (0.44) MAOBMAOAGPR119ALDH1A1RAB9A
SCHEMBL1091768 0.85 MAOB (0.44) MAOBMAOAGPR119CHRM2CHRM1

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
WO-2012000881-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-01-05 WO disclosed