Sugi Predict

Sugi Predict / Compounds / SCHEMBL5330153

SCHEMBL5330153

SCHEMBL5330153

Cc1ccccc1[C@@H](O)CCc1c(C(=O)N(C)C)cn2c(C)c(C)nc2c1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.34
▸ CYP2C9 P11712 8/20 0.34
▸ CYP2D6 P10635 4/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CTSA P10619 2/20 0.32

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
SCHEMBL5327754 1.00 CYP3A4 (0.34) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5327758 1.00 CYP3A4 (0.34) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5324424 0.91 KDM4E (0.33) CTSA
SCHEMBL5328452 0.91 KDM4E (0.33) CTSA
SCHEMBL5328449 0.91 KDM4E (0.33) CTSA
SCHEMBL5566372 0.88 PRKDC (0.34) CYP3A4CYP2C9
SCHEMBL4977432 0.88 PRKDC (0.34) CYP3A4CYP2C9
SCHEMBL5451120 0.88 PRKDC (0.34) CYP3A4CYP2C9
SCHEMBL5324528 0.83 CXCR1 (0.36) —
SCHEMBL5324524 0.83 CXCR1 (0.36) —

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
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 — — WO claimed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 — — WO disclosed