SCHEMBL14434669

SCHEMBL14434669

Bc1ccc(NC(=O)N2CC(OC)CC2C(=O)Nc2ccc3c(c2)CCN(C)CC3C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.41
▸ CFD P00746 3/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL14434665 0.93 F10 (0.41) F10CFDKMT2ANPC1POLB
SCHEMBL12371502 0.92 F10 (0.41) F10CFDKMT2ANPC1POLB
SCHEMBL12371437 0.92 F10 (0.49) F10CFDKMT2ANPC1POLB
SCHEMBL12371436 0.92 F10 (0.49) F10CFDKMT2ANPC1POLB
SCHEMBL12101341 0.89 F10 (0.43) F10CFDKMT2ANPC1POLB
SCHEMBL12101413 0.88 F10 (0.43) F10CFDNPC1KLKB1TSHR
SCHEMBL12371435 0.85 F10 (0.49) F10CFDKMT2APOLBKLKB1
SCHEMBL12371503 0.85 F10 (0.41) F10CFDKMT2ANPC1POLB
SCHEMBL12371434 0.85 F10 (0.49) F10CFDKMT2APOLBKLKB1
SCHEMBL14434664 0.84 F10 (0.39) F10CFDKMT2ANPC1POLB

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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