SCHEMBL14434664

SCHEMBL14434664

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.39
▸ KMT2A Q03164 1/20 0.34
▸ MET P08581 3/20 0.33
▸ ALK Q9UM73 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ DRD2 P14416 4/20 0.33
▸ DRD3 P35462 4/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ CFD P00746 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL14434670 0.93 F10 (0.39) F10KMT2AMETALKNPC1
SCHEMBL12371499 0.92 F10 (0.39) F10KMT2AMETALKNPC1
SCHEMBL14434665 0.90 F10 (0.41) F10KMT2AMETALKNPC1
SCHEMBL12371500 0.85 F10 (0.39) F10KMT2AMETALKNPC1
SCHEMBL14434669 0.84 F10 (0.41) F10KMT2ANPC1POLBTSHR
SCHEMBL12371435 0.82 F10 (0.49) F10KMT2AMETALKPOLB
SCHEMBL12371503 0.82 F10 (0.41) F10KMT2AMETALKNPC1
SCHEMBL12371434 0.82 F10 (0.49) F10KMT2AMETALKPOLB
SCHEMBL12101413 0.79 F10 (0.43) F10NPC1TSHRKLKB1CFD
SCHEMBL14434249 0.77 F10 (0.41) F10KMT2ANPC1POLBTSHR

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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