SCHEMBL8879669

SCHEMBL8879669

OC[C@@H]1CCCN1CCc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 10/20 0.67
SPHK1 Q9NYA1 10/20 0.67
TRPV6 Q9H1D0 1/20 0.57
HRH3 Q9Y5N1 4/20 0.52
SIGMAR1 Q99720 2/20 0.51

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
SCHEMBL6797294 0.95 SPHK2 (0.62) SPHK2SPHK1TRPV6HRH3SIGMAR1
SCHEMBL6797298 0.95 SPHK2 (0.62) SPHK2SPHK1TRPV6HRH3SIGMAR1
SCHEMBL4889839 0.85 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL15921347 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL4889834 0.85 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL15921348 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL27627908 0.84 SPHK2 (0.66) SPHK2SPHK1HRH3
SCHEMBL4804878 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL4804888 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL4809169 0.81 HRH3 (0.68) SPHK2SPHK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607950-A IRRITABLE BOWEL SYNDROME PFIZER INC. (US) 1997-03-04 US disclosed
EP-0508988-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-03-02 EP disclosed
EP-0508988-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-10-21 EP disclosed
WO-1991010647-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed