SCHEMBL14435250

SCHEMBL14435250

CCCOC1CC(C(=O)Nc2ccc3c(c2)CCNCC3)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.51
SLC2A1 P11166 2/20 0.44
KLKB1 P03952 2/20 0.41
POLB P06746 1/20 0.41
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37
TSHR P16473 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
SCHEMBL14435247 0.92 F10 (0.48) F10SLC2A1KLKB1POLBHTR2C
SCHEMBL14435246 0.91 MELK (0.47) F10SLC2A1KLKB1POLBHTR2C
SCHEMBL12371440 0.90 F10 (0.54) F10KLKB1POLBHTR2CTSHR
SCHEMBL14434231 0.86 F10 (0.46) F10SLC2A1KLKB1POLBHTR2C
SCHEMBL12101325 0.84 F10 (0.51) F10SLC2A1KLKB1POLBTSHR
SCHEMBL12371443 0.83 F10 (0.51) F10KLKB1POLBHTR2CTSHR
SCHEMBL14434686 0.82 SLC2A1 (0.51) F10SLC2A1KLKB1POLB
SCHEMBL12371442 0.82 F10 (0.44) F10POLBHTR2CTSHR
SCHEMBL14434994 0.81 NPC1 (0.46) F10KLKB1POLB
SCHEMBL14434688 0.81 F10 (0.43) F10SLC2A1KLKB1POLBHTR2C

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