SCHEMBL29032172

SCHEMBL29032172

CCOC(=O)C(C#N)c1cccc2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.53
MTNR1B P49286 9/20 0.53
HTR2C P28335 6/20 0.51
NQO2 P16083 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3328982 0.89 MTNR1A (0.59) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL3640537 0.85 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL12930798 0.83 MTNR1A (0.57) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL4583332 0.78 MTNR1A (0.54) MTNR1AMTNR1BHTR2CNQO2KMT2A
SCHEMBL17091260 0.78 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL21332001 0.78 PRKCZ (0.45) MEN1GAAKMT2ASMN1; SMN2
SCHEMBL622042 0.77 L3MBTL1 (0.50) MTNR1AMTNR1BMEN1GAAKMT2A
SCHEMBL5121759 0.76 MTNR1A (0.55) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL10565285 0.76 AKR1C3 (0.47) MTNR1AMTNR1BMEN1GAAKMT2A
SCHEMBL13848578 0.76 SMN1; SMN2 (0.42) MEN1GAAKMT2ASMN1; SMN2

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
CN-116249691-A Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-09 CN disclosed