SCHEMBL7794448

SCHEMBL7794448

N[C@@H]1CCc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
KIF11 P52732 1/20 0.43
LAP3 P28838 1/20 0.43
TDP2 O95551 1/20 0.43
CAPN9 O14815 1/20 0.42
CASP3 P42574 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PNMT P11086 4/20 0.41
ADRA2A P08913 2/20 0.41
PGR P06401 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GAA P10253 1/20 0.40
GRIN2B Q13224 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL7794446 1.00 SIRT2 (0.53) SIRT2KIF11LAP3TDP2CAPN9
SCHEMBL2361485 0.77 HTR5A (0.43) KMT2ADDB1CRBNCYP2C19
SCHEMBL8331607 0.77 SRD5A1 (0.39) TDP2PNMTADRA2AADRA2BADRA2C
SCHEMBL15964524 0.77 HTR5A (0.43) KMT2ADDB1CRBNCYP2C19
SCHEMBL7794305 0.77 SRD5A1 (0.39) TDP2PNMTADRA2AADRA2BADRA2C
SCHEMBL17321239 0.77 HTR5A (0.42) ALDH1A1DDB1CRBNCYP3A4CYP2C19
SCHEMBL17321238 0.77 HTR5A (0.42) ALDH1A1DDB1CRBNCYP3A4CYP2C19
SCHEMBL2283326 0.77 BRD4 (0.45) TDP2DDB1CRBNCYP3A4CYP2C19
SCHEMBL7436606 0.77 AHR (0.50) ADRA2AADRA2BADRA2C
SCHEMBL15964525 0.77 AHR (0.50) ADRA2AADRA2BADRA2C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
US-5672596-A ANIMAL GROWTH CONTROLLERS MERCK & CO., INC. (US) 1997-09-30 US disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed