SCHEMBL6604763

SCHEMBL6604763

COc1ccccc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.65
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
HCRTR2 O43614 1/20 0.47
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7032818 1.00 TACR1 (0.65) TACR1KDM1AMAOAMAOBHCRTR2
SCHEMBL7594455 0.87 TACR1 (0.50) TACR1HCRTR2
SCHEMBL7594451 0.87 TACR1 (0.50) TACR1HCRTR2
SCHEMBL7867202 0.86 TACR1 (0.60) TACR1
SCHEMBL7591379 0.86 TACR1 (0.49) TACR1HCRTR2
SCHEMBL7137909 0.86 TACR1 (0.51) TACR1
SCHEMBL7135463 0.86 TACR1 (0.51) TACR1
SCHEMBL7133654 0.86 TACR1 (0.60) TACR1
SCHEMBL8708427 0.86 TACR1 (0.51) TACR1
SCHEMBL7864432 0.86 TACR1 (0.58) TACR1

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 2 patents. 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
EP-0840732-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER (US) 2001-03-07 EP disclosed