SCHEMBL6619675

SCHEMBL6619675

CCNC(=O)Nc1cc(C#N)ccc1OCC1CO1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
TSHR P16473 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL1952437 0.81 ALDH1A1 (0.51)
SCHEMBL6623293 0.74 CXCR2 (0.48)
SCHEMBL6618622 0.74 ALDH1A1 (0.57) SSTR4TSHR
SCHEMBL7092842 0.73 RAB9A (0.50) TSHR
SCHEMBL26750381 0.72 ALDH1A1 (0.58) SSTR4TSHR
SCHEMBL6738543 0.72 SSTR4 (0.39) SSTR4
SCHEMBL11749561 0.72 AR (0.50) TSHR
SCHEMBL11761868 0.72 AR (0.47) TSHR
SCHEMBL6742061 0.71 ALDH1A1 (0.47) SSTR4CHEK1
SCHEMBL6736885 0.71 ALDH1A1 (0.47) SSTR4CHEK1

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-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed