SCHEMBL7993751

SCHEMBL7993751

CCc1nc(CC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)c2ccc3c(c2)OCO3)cn1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.48
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IL1RN P18510 4/20 0.43
ERAP2 Q6P179 4/20 0.43
ERAP1 Q9NZ08 3/20 0.43
KLK7 P49862 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL8810898 0.95 TACR1 (0.47) TACR1MAPK1SMN1; SMN2IL1RNERAP2
SCHEMBL7994280 0.94 TACR1 (0.46) TACR1MAPK1SMN1; SMN2IL1RNERAP2
SCHEMBL7986645 0.94 TACR1 (0.45) TACR1MAPK1SMN1; SMN2IL1RNERAP2
SCHEMBL7990070 0.93 MAPK1 (0.47) MAPK1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7988163 0.88 SMN1; SMN2 (0.44) TACR1MAPK1SMN1; SMN2MEN1LMNA
SCHEMBL7990508 0.88 SMN1; SMN2 (0.44) TACR1MAPK1SMN1; SMN2MEN1LMNA
SCHEMBL8807798 0.88 MAPK1 (0.46) MAPK1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7976826 0.87 MAPK1 (0.45) MAPK1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7986462 0.86 MAPK1 (0.44) MAPK1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL7987522 0.84 EDNRA (0.47) SMN1; SMN2MEN1ALDH1A1LMNATP53

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 3 patents. 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
EP-0792265-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-03 EP disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed