SCHEMBL7986584

SCHEMBL7986584

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.40
METAP2 P50579 2/20 0.37
HPGD P15428 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 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
SCHEMBL7977103 0.89 EDNRA (0.49) EDNRAMETAP2MAPTSMN1; SMN2
SCHEMBL7990600 0.85 SLC6A2 (0.43) EDNRAHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL7987577 0.76 NPC1 (0.48) HPGDMAPTSMN1; SMN2
SCHEMBL7976294 0.75 SLC6A2 (0.42) EDNRAHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL7975878 0.72 TRPM8 (0.44) EDNRAHPGDMAPTSMN1; SMN2
SCHEMBL7993896 0.71 TRPM8 (0.43) EDNRAHPGDMAPTSMN1; SMN2
SCHEMBL7975974 0.70 MAPK9 (0.49) EDNRAHPGDSMN1; SMN2
SCHEMBL7976824 0.68 HPGD (0.46) HPGDMAPTSMN1; SMN2
SCHEMBL7993759 0.67 MME (0.52) HPGD
SCHEMBL4847152 0.67 SMPD2 (0.44) METAP2

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