SCHEMBL7562609

SCHEMBL7562609

COc1cc2c(cc1CNN1CCCCC1c1ccccc1)N(C)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.48
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP3A4 P08684 2/20 0.38
TRPV1 Q8NER1 5/20 0.36
BRD4 O60885 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
POLB P06746 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
SCHEMBL7562601 0.86 POLB (0.35) TRIM24POLB
SCHEMBL8658284 0.77 MAPT (0.41) CYP3A4POLB
SCHEMBL1626959 0.77 KMT2A (0.53) POLB
SCHEMBL8328961 0.76 TACR1 (0.53)
SCHEMBL8328962 0.76 TACR1 (0.53)
SCHEMBL7118326 0.75 TACR1 (0.61)
SCHEMBL6073522 0.75 TACR1 (0.61)
SCHEMBL6073516 0.75 TACR1 (0.61)
SCHEMBL6073720 0.75 TACR1 (0.61)
SCHEMBL6073767 0.75 TACR1 (0.45) TRIM24TRPV1

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-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS Pfizer Products Inc. (US) 2002-01-30 EP disclosed
WO-2000068224-A1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PRODUCTS INC. (US) 2000-11-16 WO disclosed