SCHEMBL7990600

SCHEMBL7990600

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRPM8 Q7Z2W7 4/20 0.38
HPGD P15428 1/20 0.38
EDNRA P25101 4/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
OGA O60502 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 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
SCHEMBL7976294 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL7986584 0.85 EDNRA (0.40) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL7987577 0.76 NPC1 (0.48) MAPTSMN1; SMN2HPGDKDM4EHTT
SCHEMBL7977103 0.75 EDNRA (0.49) MAPTSMN1; SMN2EDNRANPC1RAB9A
SCHEMBL7975878 0.75 TRPM8 (0.44) MAPTSMN1; SMN2TRPM8HPGDEDNRA
SCHEMBL7993896 0.73 TRPM8 (0.43) MAPTSMN1; SMN2TRPM8HPGDEDNRA
SCHEMBL7975974 0.70 MAPK9 (0.49) SMN1; SMN2HPGDEDNRANPC1RAB9A
SCHEMBL7976824 0.69 HPGD (0.46) MAPTSMN1; SMN2HPGDKDM4ELMNA
SCHEMBL7993759 0.68 MME (0.52) HPGDKDM4EHTT
SCHEMBL10653725 0.67 TRPM8 (0.45) TRPM8LMNANPC1RAB9ACYP3A4

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