SCHEMBL7976294

SCHEMBL7976294

CCOC(=O)[C@H](C)N(C(=O)[C@H](c1ccc2c(c1)OCO2)[C@H](O)C1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EDNRA P25101 5/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OGA O60502 1/20 0.34

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
SCHEMBL7990600 0.89 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL7977103 0.78 EDNRA (0.49) MAPTSMN1; SMN2EDNRAALDH1A1
SCHEMBL7986584 0.75 EDNRA (0.40) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL7987498 0.74 RAB9A (0.48) MAPTHPGDALDH1A1POLBCYP3A4
SCHEMBL7993896 0.72 TRPM8 (0.43) MAPTSMN1; SMN2EDNRATRPM8HPGD
SCHEMBL7975878 0.72 TRPM8 (0.44) MAPTSMN1; SMN2EDNRATRPM8HPGD
SCHEMBL7987577 0.69 NPC1 (0.48) MAPTSMN1; SMN2HPGDALDH1A1POLB
SCHEMBL7986911 0.66 EDNRA (0.47) MAPTSMN1; SMN2EDNRAHPGDALDH1A1
SCHEMBL12053329 0.65 CYP3A4 (0.55) MAPTHPGDCYP3A4CYP2D6L3MBTL1
SCHEMBL8789026 0.65 RAB9A (0.55) MAPTSMN1; SMN2EDNRAHPGDALDH1A1

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed