SCHEMBL2934

SCHEMBL2934

CCOC(=O)[C@H]1CC[C@@H](N(C)c2ccc(-c3ccccc3C#N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
MAPT P10636 3/20 0.40
NR1H4 Q96RI1 3/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RET P07949 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2261 0.89 NR1H4 (0.41) GPR119ALDH1A1SMN1; SMN2KDM4EOXTR
SCHEMBL7276526 0.87 GPR119 (0.42) GPR119ALDH1A1OXTRAVPR1ANR1H4
SCHEMBL3058 0.82 OXTR (0.41) GPR119ALDH1A1SMN1; SMN2OXTRAVPR1A
SCHEMBL2099 0.79 LTB4R2 (0.55) GPR119OXTRAVPR1A
SCHEMBL2100 0.79 LTB4R2 (0.55) GPR119OXTRAVPR1A
SCHEMBL3537 0.78 MEN1 (0.44) ALDH1A1SMN1; SMN2KDM4EOXTRAVPR1A
SCHEMBL3536 0.78 MEN1 (0.44) ALDH1A1SMN1; SMN2KDM4EOXTRAVPR1A
SCHEMBL7278162 0.76 OXTR (0.40) GPR119ALDH1A1OXTRAVPR1ANR1H4
SCHEMBL2104 0.75 NLRP3 (0.43) ALDH1A1SMN1; SMN2KDM4EOXTRAVPR1A
SCHEMBL7280581 0.73 OXTR (0.44) GPR119OXTRAVPR1ANR1H4ESR2

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