SCHEMBL5743537

SCHEMBL5743537

CCC(=O)NC(C(=O)CC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21142858 1.00 LMNA (0.51) LMNAPOLBALDH1A1CYP1A2MEN1
SCHEMBL10076060 0.87 LMNA (0.53) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL13649434 0.87 LMNA (0.53) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL13545121 0.86 MTNR1A (0.46) LMNAPOLBALDH1A1CYP1A2MEN1
SCHEMBL16317174 0.86 LMNA (0.51) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL15443129 0.86 LMNA (0.51) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL12182395 0.84 LMNA (0.50) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL18196590 0.84 LMNA (0.50) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL8915495 0.83 CYP2C19 (0.52) LMNAPOLBALDH1A1CYP1A2MEN1
SCHEMBL8920045 0.83 NAALAD2 (0.43) LMNAPOLBALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 CN disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
US-4409224-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1983-10-11 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
WO-1980000537-A1 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AMERICAN HOME PROD (US) 1980-04-03 WO disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP disclosed