SCHEMBL7990508

SCHEMBL7990508

CCCCc1nc(C[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCC)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
TACR1 P25103 4/20 0.43
SCN9A Q15858 1/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
P2RY12 Q9H244 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 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
SCHEMBL7988163 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1TACR1SCN9AMAPT
SCHEMBL7994280 0.94 TACR1 (0.46) SMN1; SMN2MAPK1TACR1
SCHEMBL7976826 0.94 MAPK1 (0.45) SMN1; SMN2MAPK1MEN1KMT2ABCHE
SCHEMBL7986645 0.92 TACR1 (0.45) SMN1; SMN2MAPK1TACR1
SCHEMBL7986462 0.92 MAPK1 (0.44) SMN1; SMN2MAPK1MEN1KMT2ABCHE
SCHEMBL8810898 0.91 TACR1 (0.47) SMN1; SMN2MAPK1TACR1MAPTTP53
SCHEMBL8807798 0.90 MAPK1 (0.46) SMN1; SMN2MAPK1SCN9AMMP2MMP9
SCHEMBL7993751 0.88 TACR1 (0.48) SMN1; SMN2MAPK1TACR1MAPTTP53
SCHEMBL7990070 0.88 MAPK1 (0.47) SMN1; SMN2MAPK1SCN9AMEN1KMT2A
SCHEMBL7989806 0.84 EDNRA (0.40) MAPTLMNA

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed