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SCHEMBL18595997

SCHEMBL18595997

COC(=O)NCC(=O)N1CCC[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.62
▸ CYP2C9 P11712 3/20 0.62
▸ NR1I2 O75469 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ CYP1A2 P05177 1/20 0.56

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
SCHEMBL18930198 1.00 CYP3A4 (0.62) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18462608 0.94 CYP3A4 (0.53) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18930051 0.94 CYP3A4 (0.62) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL13291733 0.94 CYP3A4 (0.71) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL203257 0.93 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL9605175 0.93 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18462725 0.93 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL2707197 0.93 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL204882 0.93 CYP3A4 (0.70) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL18925880 0.93 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
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed