SCHEMBL7035814

SCHEMBL7035814

N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HTR1A P08908 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
KCNH2 Q12809 1/20 0.62
CD274 Q9NZQ7 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
CNR1 P21554 1/20 0.59
KMT2A Q03164 3/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
EPHX2 P34913 1/20 0.54
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL18492849 0.88 LMNA (0.59) CD274SMN1; SMN2KMT2ALMNAEPHX2
SCHEMBL7287023 0.88 MEN1 (0.60) CD274KMT2ALMNAPOLBMEN1
SCHEMBL12310426 0.88 MEN1 (0.60) CD274KMT2ALMNAPOLBMEN1
SCHEMBL847408 0.85 TACR2 (0.58) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL7405696 0.80 TACR2 (0.62) ALDH1A1KMT2ALMNAEPHX2MAPT
SCHEMBL14295176 0.80 ALDH1A1 (0.54) ALDH1A1HTR1AMAOAMAOBKCNH2
SCHEMBL10266645 0.80 ALDH1A1 (0.54) ALDH1A1HTR1AMAOAMAOBKCNH2
Hydrochloric Acid SCHEMBL5600111 0.80 TACR2 (0.67) ALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5601506 0.80 TACR2 (0.67) ALDH1A1SMN1; SMN2POLB
SCHEMBL26211321 0.79 NLN (0.52) KMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977730-B1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMA SPA (IT) 2003-03-12 EP disclosed
US-6344457-B1 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIODONTITIS, GINGIVITIS OR TUMOROUS INVASION AND METASTATIC PROLIFERATION, ATHEROSCLEROSIS, AIDS, CHRONIC INFLAMMATORY DISEASES OF THE INTESTINE CHIESI FARMACEUTICI S.P.A. (IT) 2002-02-05 US disclosed
EP-0977730-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.p.A. (IT) 2000-02-09 EP disclosed
WO-1998047863-A1 AMINO ACID DERIVATIVES INHIBITING EXTRACELLULAR MATRIX METALLOPROTEINASE AND TNF ALPHA RELEASE CHIESI FARMACEUTICI S.P.A. (IT) 1998-10-29 WO disclosed