SCHEMBL9568037

SCHEMBL9568037

O=C(CCC1CCCc2ccccc21)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
DHODH Q02127 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 2/20 0.43
CNR2 P34972 3/20 0.42
HTT P42858 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL9568077 0.90 TRPV1 (0.46) TRPV1DHODHL3MBTL1MTNR1AMTNR1B
SCHEMBL9567955 0.88 CNR1 (0.48) CNR1TRPV1DHODHL3MBTL1MTNR1A
SCHEMBL9567963 0.82 ALDH1A1 (0.44) TRPV1DHODHL3MBTL1ALDH1A1HTT
SCHEMBL9049589 0.80 PTGIR (0.68) MTNR1AMTNR1B
SCHEMBL9568047 0.80 TRPV1 (0.44) TRPV1ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL9568169 0.79 PRMT5 (0.52) CNR1DHODHL3MBTL1MTNR1AMTNR1B
SCHEMBL8886980 0.79 MTNR1A (0.59) TRPV1MTNR1AMTNR1BALDH1A1HTT
SCHEMBL9567979 0.78 ALDH1A1 (0.49) TRPV1DHODHL3MBTL1ALDH1A1HTT
SCHEMBL5623941 0.77 HTR6 (0.51) TRPV1MTNR1AMTNR1BHTTKDM5A
SCHEMBL9567971 0.77 PRMT5 (0.53) TRPV1DHODHL3MBTL1MTNR1BALDH1A1

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed