Sugi Predict

Sugi Predict / Compounds / SCHEMBL1648741

SCHEMBL1648741

SCHEMBL1648741

CC(C)[C@H](NC=O)C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5[nH]c([C@@H]6CCCN6C(=O)[C@@H](NC=O)C(C)C)nc5c4)cc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 4/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ NR1I2 O75469 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL12773909 0.93 PRCP (0.53) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1646530 0.88 CYP3A4 (0.57) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL20054562 0.87 PRCP (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12509590 0.87 CYP3A4 (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12509662 0.87 CYP3A4 (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12509591 0.87 CYP3A4 (0.56) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL934295 0.86 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2194346 0.86 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18596018 0.86 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL16589605 0.86 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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-2011050146-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed