SCHEMBL4069435

SCHEMBL4069435

O=C([CH]CC1CCCCC1)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
EPHX1 P07099 2/20 0.57
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.47
KLK7 P49862 2/20 0.47
ATM Q13315 1/20 0.47
TGM2 P21980 1/20 0.46
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HTR1E P28566 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4070760 0.80 RAB9A (0.64) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL4067616 0.80 P2RX7 (0.54) HPGDRAB9AGAAMAPTKMT2A
SCHEMBL3822162 0.76 EPHX2 (1.00) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL4866294 0.73 EPHX2 (0.97) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL23431981 0.73 EPHX1 (1.00) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL4069437 0.73 EPHX2 (0.71) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL29086702 0.73 EPHX2 (0.71) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL12196136 0.73 EPHX1 (1.00) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL23432014 0.73 EPHX1 (1.00) EPHX2EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL4073984 0.73 KMT2A (0.55) EPHX2HPGDRAB9APOLBGAA

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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed