SCHEMBL9713100

SCHEMBL9713100

COc1cc(CCl)ccc1OCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
ADRB2 P07550 1/20 0.56
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL9705942 0.88 TTR (0.58) TTR
SCHEMBL9713370 0.86 ADRB2 (0.59) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4812224 0.86 ADRB2 (0.59) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL4819799 0.84 ADRB2 (0.61) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL7988695 0.83 KDM4E (0.60) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL9077595 0.83 TTR (0.57) TTR
SCHEMBL5387584 0.82 TTR (0.65) TTRMTNR1AMTNR1B
SCHEMBL9172945 0.81 TTR (0.54) TTR
SCHEMBL10526510 0.81 EBP (0.68)
SCHEMBL2818338 0.81 S1PR2 (0.54) TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed