SCHEMBL14434249

SCHEMBL14434249

Bc1ccc(NC(=O)N2CC(OC)CC2C(=O)Nc2ccc3c(c2)C2(CC2)CN(C)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.41
▸ CFD P00746 3/20 0.37
▸ TSHR P16473 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL14434667 0.94 F10 (0.40) F10CFDTSHRKLKB1CYP2C9
SCHEMBL14434666 0.92 F10 (0.41) F10CFDTSHRKLKB1CYP2C9
SCHEMBL12371495 0.92 F10 (0.41) F10CFDTSHRKLKB1CYP2C9
SCHEMBL12101413 0.87 F10 (0.43) F10CFDTSHRKLKB1CYP2C9
SCHEMBL12371497 0.86 F10 (0.40) F10CFDTSHRKLKB1CYP2C9
SCHEMBL12101298 0.85 F10 (0.42) F10CFDTSHRKLKB1CYP2C9
SCHEMBL14434665 0.84 F10 (0.41) F10CFDTSHRKLKB1CYP2C9
SCHEMBL12101302 0.84 F10 (0.41) F10CFDTSHRKLKB1KMT2A
SCHEMBL12371498 0.83 F10 (0.41) F10CFDTSHRKLKB1CYP2C9
SCHEMBL14434256 0.83 F10 (0.41) F10CFDTSHRKLKB1CYP2C9

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-2007093595-A1 SUBSTITUTED PROLINAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 — — WO disclosed
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