SCHEMBL2260

SCHEMBL2260

CCOC(=O)C1CCCC(NCc2ccc(-c3ccccc3C#N)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
ADAM17 P78536 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ALDH1A1 P00352 3/20 0.38
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
RET P07949 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MMP1 P03956 1/20 0.37

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
SCHEMBL3537 0.89 MEN1 (0.44) ATML3MBTL1MYCWDR5ADAM17
SCHEMBL3536 0.89 MEN1 (0.44) ATML3MBTL1MYCWDR5ADAM17
SCHEMBL3057 0.82 CTSB (0.43) MYCWDR5ADAM17ITGB1ITGA4
SCHEMBL3059 0.82 CTSB (0.43) MYCWDR5ADAM17ITGB1ITGA4
SCHEMBL2261 0.80 NR1H4 (0.41) ATML3MBTL1SMN1; SMN2OXTRAVPR1A
SCHEMBL2776 0.78 LTB4R2 (0.55) ATML3MBTL1OXTRAVPR1AFFAR1
SCHEMBL8812256 0.78 HRH3 (0.60) ADAM17OXTRAVPR1AOPRM1OPRK1
SCHEMBL2103 0.73 MYC (0.47) L3MBTL1MYCWDR5SMN1; SMN2ALDH1A1
SCHEMBL2934 0.72 GPR119 (0.43) L3MBTL1SMN1; SMN2OXTRAVPR1AALDH1A1
SCHEMBL18616977 0.71 PKM (0.49) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed