SCHEMBL9568077

SCHEMBL9568077

O=C(CCC1CCCc2ccccc21)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
DHODH Q02127 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4C Q9H3R0 3/20 0.43
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
PDPK1 O15530 1/20 0.43
HTT P42858 1/20 0.42
PTGIR P43119 1/20 0.42
TSHR P16473 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42

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
SCHEMBL9568037 0.90 CNR1 (0.46) TRPV1DHODHL3MBTL1MTNR1AMTNR1B
SCHEMBL9567971 0.88 PRMT5 (0.53) TRPV1DHODHL3MBTL1MTNR1BALDH1A1
SCHEMBL9567963 0.85 ALDH1A1 (0.44) TRPV1DHODHL3MBTL1ALDH1A1KDM4C
SCHEMBL9568047 0.82 TRPV1 (0.44) TRPV1ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL9567979 0.81 ALDH1A1 (0.49) TRPV1DHODHL3MBTL1ALDH1A1KDM4C
SCHEMBL5623941 0.80 HTR6 (0.51) TRPV1MTNR1AMTNR1BKDM4CKDM5A
SCHEMBL9048590 0.79 PTGIR (0.71) KDM4CPTGIR
SCHEMBL9568000 0.79 ALDH1A1 (0.43) TRPV1ALDH1A1KDM4CKDM5AKDM5B
SCHEMBL1566782 0.77 SIGMAR1 (0.49) TRPV1MTNR1AMTNR1BALDH1A1TSHR
SCHEMBL9568029 0.77 TAOK1 (0.49) TRPV1ALDH1A1KDM4CKDM5AKDM5B

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