SCHEMBL750372

SCHEMBL750372

CC1(C)OB(c2ccc3cc(-c4cnc(C5CCCN5C(=O)O)[nH]4)ccc3c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.46
NR1I2 O75469 2/20 0.45
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43

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
SCHEMBL752906 0.96 PRCP (0.47) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL16499294 0.92 PRCP (0.50) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL749667 0.92 PRCP (0.50) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15405447 0.91 PRCP (0.51) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL1293611 0.89 PRCP (0.45) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL204202 0.89 PRCP (0.45) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL6126277 0.88 PRCP (0.43) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL12098594 0.86 CYP3A4 (0.59) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL15274593 0.86 LPL (0.40) PRCPNR1I2ABCB11CYP3A4CYP2C9
SCHEMBL16921672 0.86 LPL (0.40) PRCPNR1I2ABCB11CYP3A4CYP2C9

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