SCHEMBL9200773

SCHEMBL9200773

N#CC1(CCCCO)c2ccccc2CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.51
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9845104 0.83 CCR1 (0.52) CCR1LMNAALDH1A1
SCHEMBL9426817 0.79 CCR1 (0.45) CCR1LMNAALDH1A1
SCHEMBL8255534 0.79 CCR1 (0.45) CCR1LMNAALDH1A1
SCHEMBL8251316 0.79 CCR1 (0.45) CCR1LMNAALDH1A1
SCHEMBL13548795 0.78 CCR1 (0.44) CCR1LMNAALDH1A1
SCHEMBL13552352 0.76 CCR1 (0.44) CCR1LMNAALDH1A1
SCHEMBL7675246 0.75 LMNA (0.54) CCR1LMNAALDH1A1KDM4E
SCHEMBL9198384 0.75 CCR1 (0.43) CCR1LMNAALDH1A1
SCHEMBL11730664 0.73 CCR1 (0.44) CCR1
SCHEMBL13806618 0.73 CCR1 (0.41) CCR1LMNA

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-0456183-B1 Spiro dibenzosuberane derivatives SHIONOGI & CO (JP) 1995-10-04 EP disclosed
EP-0456183-A2 Spiro dibenzosuberane derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-11-13 EP disclosed