SCHEMBL6606522

SCHEMBL6606522

COc1cc2c(cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1)N(C)C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.44
HCRTR2 O43614 1/20 0.40
CYP2D6 P10635 3/20 0.40
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRIM24 O15164 1/20 0.36
CFTR P13569 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7030644 1.00 TACR1 (0.44) TACR1HCRTR2CYP2D6KDM1AMEN1
SCHEMBL8664244 0.93 TACR1 (0.45) TACR1HCRTR2CYP2D6KDM1ATRIM24
SCHEMBL6606866 0.93 TACR1 (0.45) TACR1HCRTR2CYP2D6KDM1ATRIM24
SCHEMBL6607867 0.90 TACR1 (0.44) TACR1HCRTR2CYP2D6KDM1AMEN1
SCHEMBL8596137 0.88 HCRTR2 (0.39) TACR1HCRTR2KDM1AMEN1KMT2A
SCHEMBL6607716 0.88 HCRTR2 (0.39) TACR1HCRTR2KDM1AMEN1KMT2A
SCHEMBL6608982 0.88 TACR1 (0.44) TACR1HCRTR2CYP2D6KDM1AMEN1
SCHEMBL7026966 0.88 TACR1 (0.44) TACR1HCRTR2CYP2D6KDM1AMEN1
SCHEMBL7828679 0.88 HCRTR2 (0.39) TACR1HCRTR2KDM1AMEN1KMT2A
SCHEMBL6604442 0.88 HCRTR2 (0.39) TACR1HCRTR2KDM1AMEN1KMT2A

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
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed