SCHEMBL7977103

SCHEMBL7977103

C[C@@H](C(=O)OCc1ccccc1)N(C(=O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.49
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
ACE P12821 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
METAP2 P50579 2/20 0.35

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
SCHEMBL7986584 0.89 EDNRA (0.40) EDNRAMAPTSMN1; SMN2METAP2
SCHEMBL7976294 0.78 SLC6A2 (0.42) EDNRAALDH1A1MAPTSMN1; SMN2
SCHEMBL7990600 0.75 SLC6A2 (0.43) EDNRAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7986911 0.75 EDNRA (0.47) EDNRAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7993650 0.74 EDNRA (0.49) EDNRAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7993896 0.70 TRPM8 (0.43) EDNRAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7975878 0.70 TRPM8 (0.44) EDNRAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7987577 0.69 NPC1 (0.48) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL7987491 0.68 EDNRA (0.61) EDNRAALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL7990089 0.67 EDNRA (0.60) EDNRAALDH1A1MAPTTSHRSMN1; SMN2

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