SCHEMBL7993894

SCHEMBL7993894

COC(=O)CNc1ccccc1C(=O)C(c1ccc2c(c1)OCO2)C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EDNRA P25101 3/20 0.39
RAB9A P51151 5/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL7975874 0.90 RXFP1 (0.44) RXFP1HPGDMEN1KMT2AEDNRA
SCHEMBL7993896 0.76 TRPM8 (0.43) HPGDMEN1KMT2AEDNRATSHR
SCHEMBL7987577 0.72 NPC1 (0.48) HPGDMEN1KMT2ARAB9ATSHR
SCHEMBL7993759 0.69 MME (0.52) HPGDTSHRKDM4E
SCHEMBL7975878 0.68 TRPM8 (0.44) HPGDKMT2AEDNRARAB9AKDM4E
SCHEMBL7993650 0.68 EDNRA (0.49) HPGDEDNRARAB9ATSHRTP53
SCHEMBL7987498 0.68 RAB9A (0.48) HPGDMEN1KMT2ARAB9ATSHR
SCHEMBL7976824 0.67 HPGD (0.46) HPGDMEN1KMT2ARAB9AKDM4E
SCHEMBL7988173 0.67 SMN1; SMN2 (0.53) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL7986911 0.67 EDNRA (0.47) HPGDEDNRARAB9ATSHRTP53

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