SCHEMBL13748255

SCHEMBL13748255

O=C(Cc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](O)c5ccccc5)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.59
KCNH2 Q12809 2/20 0.56
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
OPRK1 P41145 1/20 0.52
CYP1A2 P05177 1/20 0.51
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 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
SCHEMBL13747250 0.92 PRCP (0.60) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL1745202 0.92 CYP3A4 (0.60) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL1747409 0.91 PRCP (0.69) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL10177207 0.91 CYP3A4 (0.58) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13747515 0.88 KCNH2 (0.59) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL19578324 0.88 PRCP (0.56) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL2964380 0.88 PRCP (0.58) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13748526 0.88 KCNH2 (0.59) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13748645 0.87 PRCP (0.68) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL690843 0.87 KCNH2 (0.62) PRCPKCNH2CYP3A4CYP2C9NR1I2

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-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed