SCHEMBL10909485

SCHEMBL10909485

CC(SC1c2ccccc2COc2ccc(C#N)cc21)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.38
TBXAS1 P24557 3/20 0.38
DRD2 P14416 4/20 0.35
DRD3 P35462 4/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 0.34
ABCB1 P08183 4/20 0.34

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
SCHEMBL10909487 0.80 TBXA2R (0.51) TBXA2RTBXAS1
SCHEMBL10912311 0.79 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL10911022 0.78 TBXA2R (0.59) TBXA2RTBXAS1
Acetic Acid SCHEMBL10911522 0.78 TBXA2R (0.58) TBXA2RTBXAS1
SCHEMBL10911518 0.74 TBXA2R (0.48) TBXA2RTBXAS1
SCHEMBL8797562 0.69 DRD2 (0.44) TBXA2RTBXAS1DRD2DRD3ABCB1
SCHEMBL10911813 0.69 DRD2 (0.50) DRD2DRD3ABCB1
SCHEMBL8797094 0.68 DRD2 (0.38) DRD2DRD3ABCB1
SCHEMBL10879569 0.63 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL10882315 0.62 TBXA2R (0.51) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596804-A ANTIALLERGENS KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-06-24 US claimed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP claimed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP disclosed