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SCHEMBL13145752

SCHEMBL13145752

C[C@@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCN(C)N6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N(C(=O)OCc2ccccc2)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.43
▸ PRCP P42785 11/20 0.42
▸ SSTR3 P32745 1/20 0.40
▸ HTR2C P28335 1/20 0.36
▸ PRMT5 O14744 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
SCHEMBL853975 1.00 HPGDS (0.43) HPGDSPRCPSSTR3HTR2CPRMT5
SCHEMBL825050 0.90 HPGDS (0.42) HPGDSPRCPSSTR3PRMT5
SCHEMBL825074 0.83 HPGDS (0.50) HPGDSPRCPSSTR3
SCHEMBL15850406 0.82 HTR2C (0.43) HPGDSPRCPHTR2C
SCHEMBL13145451 0.82 HTR2C (0.43) HPGDSPRCPHTR2C
SCHEMBL13748269 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL12160170 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL17571225 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL12632712 0.80 HPGDS (0.46) HPGDSPRCPSSTR3
SCHEMBL15368389 0.80 HPGDS (0.46) HPGDSPRCPSSTR3

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
WO-2010117977-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 — — WO disclosed