SCHEMBL7704636

SCHEMBL7704636

CC1=C(N)Nc2cc(C(N)(C(=O)OC(C)(C)C)C(c3ccccc3)c3ccccc3)ccc2O1.CC1=C(N)Nc2cc(C(NC(=O)OC(C)(C)C)C3CCCc4ccccc43)ccc2O1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 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
SCHEMBL7708204 0.75 IDO1 (0.39) IDO1
SCHEMBL7094224 0.74 ALDH1A1 (0.34) IDO1
SCHEMBL7705014 0.73 ALDH1A1 (0.31)
SCHEMBL7704928 0.72 SMYD3 (0.35) IDO1
SCHEMBL7091666 0.71 PFKFB3 (0.33) IDO1
Hydrochloric Acid SCHEMBL6989617 0.70 IDO1 (0.33) IDO1
SCHEMBL7093745 0.70 KDM4E (0.34) IDO1
SCHEMBL7704829 0.69 EPHX2 (0.31)
SCHEMBL7705017 0.65 ALDH1A1 (0.34) IDO1
SCHEMBL7000036 0.65 NR3C1 (0.33)

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-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed