SCHEMBL2261

SCHEMBL2261

CCOC(=O)C1CCCC(N(C)c2ccc(-c3ccccc3C#N)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.41
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
ESR2 Q92731 1/20 0.36
MAPT P10636 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36

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
SCHEMBL2934 0.89 GPR119 (0.43) NR1H4OXTRAVPR1AGPR119ALDH1A1
SCHEMBL3058 0.81 OXTR (0.41) NR1H4OXTRAVPR1AGPR119ALDH1A1
SCHEMBL2776 0.80 LTB4R2 (0.55) NR1H4OXTRAVPR1AL3MBTL1ATM
SCHEMBL7276526 0.80 GPR119 (0.42) NR1H4OXTRAVPR1AGPR119ALDH1A1
SCHEMBL2260 0.80 ATM (0.42) NR1H4OXTRAVPR1AALDH1A1SMN1; SMN2
SCHEMBL7280581 0.79 OXTR (0.44) NR1H4OXTRAVPR1AGPR119ESR2
SCHEMBL7278162 0.76 OXTR (0.40) NR1H4OXTRAVPR1AGPR119ALDH1A1
SCHEMBL2104 0.73 NLRP3 (0.43) OXTRAVPR1AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3536 0.72 MEN1 (0.44) OXTRAVPR1AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3537 0.72 MEN1 (0.44) OXTRAVPR1AALDH1A1SMN1; SMN2L3MBTL1

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed