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SCHEMBL693793

SCHEMBL693793

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4[nH]c([C@@]5(C(C)(C)C)CCCN5[C]=O)nc4C(F)(F)F)cc3)nc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.45
▸ CYP3A4 P08684 4/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PRCP P42785 7/20 0.38
▸ NR1I2 O75469 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL692400 0.90 HPGDS (0.47) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL692399 0.85 HPGDS (0.54) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1746982 0.85 CYP3A4 (0.43) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL13560517 0.84 HPGDS (0.51) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL690398 0.82 HPGDS (0.53) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL693794 0.81 HPGDS (0.51) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL691115 0.80 HPGDS (0.49) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL1746980 0.79 CYP3A4 (0.52) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL13635770 0.79 CYP3A4 (0.52) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL3343500 0.76 CYP3A4 (0.49) HPGDSCYP3A4CYP2C9CYP1A2CYP2D6

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
EP-2049116-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-29 — — EP disclosed