SCHEMBL752906

SCHEMBL752906

CC1(C)OB(c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)O)[nH]5)ccc4c3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
NR1I2 O75469 2/20 0.45
ABCB11 O95342 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL750372 0.96 PRCP (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15405447 0.93 PRCP (0.51) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL749667 0.92 PRCP (0.50) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL16499294 0.92 PRCP (0.50) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2707681 0.89 PRCP (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL205250 0.89 PRCP (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL6126277 0.87 PRCP (0.43) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL205276 0.86 CYP3A4 (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2707737 0.86 CYP3A4 (0.46) PRCPCYP3A4CYP2C9NR1I2ABCB11
SCHEMBL1293611 0.86 PRCP (0.45) PRCPCYP3A4CYP2C9NR1I2ABCB11

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
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed