SCHEMBL1139986

SCHEMBL1139986

N#CC1(C(N)=O)CC1[C@]1(C(=O)O)C[C@@H](S(=O)(=O)c2ccccc2Cl)C[C@H]1OCc1ccc(Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.36
GRM3 Q14832 3/20 0.36
CTSL P07711 12/20 0.35
CTSS P25774 10/20 0.35
CTSB P07858 3/20 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
SCHEMBL1139553 1.00 GRM2 (0.36) GRM2GRM3CTSLCTSSCTSB
SCHEMBL1139768 0.93 GRM2 (0.40) GRM2GRM3CTSLCTSSCTSB
SCHEMBL1139658 0.93 GRM2 (0.40) GRM2GRM3CTSLCTSSCTSB
SCHEMBL1139726 0.90 CTSS (0.39) CTSLCTSSCTSB
SCHEMBL1139212 0.90 CTSS (0.39) CTSLCTSSCTSB
SCHEMBL1139448 0.89 CTSL (0.38) CTSLCTSSCTSB
SCHEMBL1139795 0.89 CTSL (0.38) CTSLCTSSCTSB
SCHEMBL1139199 0.88 CTSL (0.39) CTSLCTSSCTSB
SCHEMBL1139300 0.88 CTSL (0.39) CTSLCTSSCTSB
SCHEMBL1139464 0.88 CTSL (0.40) CTSLCTSSCTSB

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
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US claimed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed