SCHEMBL3840016

SCHEMBL3840016

CCCCCN1CCCC1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.47
GNAO1 P09471 3/20 0.47
GNAI1 P63096 3/20 0.47
S1PR1 P21453 3/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR5 Q9H228 3/20 0.46
S1PR4 O95977 1/20 0.46
BCHE P06276 4/20 0.41
GBA1 P04062 1/20 0.40
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 0.38
OPRD1 P41143 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
SCHEMBL10942762 0.98 GNAI3 (0.50) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL26708656 0.92 GNAI3 (0.44) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL7750084 0.91 GNAI3 (0.47) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL27552046 0.88 S1PR1 (0.41) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL17517004 0.86 S1PR1 (0.40) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL28109704 0.85
Dimethylamine SCHEMBL7245572 0.83 S1PR1 (0.41) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL2902792 0.79 KEAP1 (0.34)
SCHEMBL11654259 0.79 LMNA (0.38) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL23767407 0.79 S1PR1 (0.49) GNAI3GNAO1GNAI1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087991-B1 PRODRUGS OF DIPEPTIDYL PEPTIDASE IV INHIBITORS PROSIDION LTD (GB) 2009-09-02 EP claimed
CN-105263927-B Inhibitors of glutaminyl cyclase 前体生物药物股份公司 2019-03-15 CN disclosed
CN-108218849-A New inhibitor 前体生物药物股份公司 2018-06-29 CN disclosed
CN-1196483-C Compositions for improivng fertility FERRING BV (NL) 2005-04-13 CN disclosed
WO-2004076433-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
WO-2004076434-A1 DIPEPTIDYL PEPTIDASE INHIBITORS AIC (BE) 2004-09-10 WO disclosed
CN-1359293-A Pharmaceutical compositions comprising dipeptidy peptidase in inhibitors for the promotion of growth FERRING BV (NL) 2002-07-17 CN disclosed
CN-1352557-A Fertility enhancing composition FERRING BV (NL) 2002-06-05 CN disclosed