Sugi Predict

Sugi Predict / Compounds / SCHEMBL9687281

SCHEMBL9687281

SCHEMBL9687281

CC1CC(=O)NN=C1c1ccc2oc(N)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 18/20 0.59
▸ PDE3B Q13370 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ GALR3 O60755 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ THRB P10828 1/20 0.54

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
SCHEMBL7331168 0.89 GPR119 (0.62) GPR119
SCHEMBL11364152 0.86 GPR119 (0.59) GPR119PDE3BPDE3A
SCHEMBL11360566 0.86 GPR119 (0.58) GPR119PDE3BPDE3A
SCHEMBL9687205 0.85 GPR119 (0.60) GPR119
SCHEMBL9686163 0.85 GPR119 (0.60) GPR119
SCHEMBL10519316 0.84 GPR119 (0.69) GPR119
SCHEMBL11358817 0.84 GPR119 (0.56) GPR119PDE3BPDE3A
SCHEMBL7297936 0.84 GPR119 (0.56) GPR119PDE3BPDE3A
SCHEMBL11452758 0.82 GPR119 (0.85) GPR119
SCHEMBL11095811 0.81 GPR119 (0.53) GPR119PDE3BPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 — — US disclosed
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 — — EP disclosed