SCHEMBL8413631

SCHEMBL8413631

CC(=O)Oc1cccc2c1CCCC2=CCc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
SIGMAR1 Q99720 3/20 0.40
HTR1A P08908 2/20 0.40
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PTPN1 P18031 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
RXRA P19793 1/20 0.31
PDE5A O76074 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8808527 0.86 ABCB1 (0.41) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8413629 0.86 ABCB1 (0.41) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8811621 0.78 ABCB1 (0.39) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8812859 0.75 ABCB1 (0.35) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8811752 0.71 SIGMAR1 (0.37) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8411286 0.70 PTGIR (0.35) PTPN1TSHR
SCHEMBL8813175 0.70 ALDH1A1 (0.36) SLC6A4NPC1RAB9A
SCHEMBL8812584 0.70 MEN1 (0.36) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8809706 0.70 MEN1 (0.34) ABCB1SIGMAR1HTR1AABCC1ABCG2
SCHEMBL8811695 0.70 TBXAS1 (0.33) ABCB1SIGMAR1HTR1ASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed