SCHEMBL7364730

SCHEMBL7364730

Cc1ccc(CCl)c(C(C)C)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL7346816 0.72 ALDH1A1 (0.32)
SCHEMBL19182176 0.63 GPR84 (0.41) GPR84
SCHEMBL10222481 0.63 LMNA (0.34) GPR84
SCHEMBL21044028 0.61 KCNH2 (0.32) GPR84
SCHEMBL1019627 0.61 PON1 (0.35)
SCHEMBL11554595 0.57 SMN1; SMN2 (0.31)
SCHEMBL2051992 0.57 GABRA1 (0.39)
SCHEMBL11956555 0.57 KDM4E (0.38) GPR84
SCHEMBL22356520 0.56 FABP3 (0.38)
SCHEMBL20543189 0.56 TRPA1 (0.50)

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
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
EP-0805681-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-11-12 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 WO disclosed