SCHEMBL8303313

SCHEMBL8303313

CCOC(=O)N1CCCC[C@H]1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.58
SIGMAR1 Q99720 6/20 0.58
RIPK1 Q13546 3/20 0.56
HSD11B1 P28845 1/20 0.50
PRMT5 O14744 4/20 0.49
WDR77 Q9BQA1 4/20 0.49
BRD4 O60885 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HCRTR2 O43614 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL26984487 1.00 TMEM97 (0.58) TMEM97SIGMAR1RIPK1HSD11B1PRMT5
SCHEMBL22721972 0.88 TMEM97 (0.56) TMEM97SIGMAR1RIPK1HSD11B1
SCHEMBL29540420 0.88 TMEM97 (0.56) TMEM97SIGMAR1RIPK1HSD11B1
SCHEMBL4033512 0.86 TMEM97 (0.68) TMEM97SIGMAR1
SCHEMBL27672000 0.85 RIPK1 (0.58) TMEM97SIGMAR1RIPK1HSD11B1PRMT5
SCHEMBL12184218 0.85 RIPK1 (0.58) TMEM97SIGMAR1RIPK1HSD11B1PRMT5
Water SCHEMBL27700641 0.85 TMEM97 (0.67) TMEM97SIGMAR1
Water SCHEMBL27740102 0.84 TMEM97 (0.66) TMEM97SIGMAR1
SCHEMBL24365782 0.83 RIPK1 (0.63) TMEM97SIGMAR1RIPK1HSD11B1PRMT5
SCHEMBL7469150 0.83 RIPK1 (0.63) TMEM97SIGMAR1RIPK1HSD11B1PRMT5

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-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed