SCHEMBL17458677

SCHEMBL17458677

CCCCOC(=O)N1C2CCC1C(C(=O)OCC)C2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM1 P11229 9/20 0.36
KCNH2 Q12809 1/20 0.36
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5847865 0.90 CHRM1 (0.41) CHRM1KCNH2CHRM4CHRM5
SCHEMBL5849383 0.82 CHRM1 (0.42) CHRM1CHRM4CHRM5ALDH1A1
SCHEMBL8261001 0.81 SMN1; SMN2 (0.40) LMNAPOLBSMN1; SMN2CHRM1CHRM4
SCHEMBL17061265 0.80 CHRM1 (0.52) CHRM1KCNH2ALDH1A1
SCHEMBL7055895 0.79 CHRM1 (0.41) CHRM1KCNH2CHRM4CHRM5
SCHEMBL17061337 0.77 AGTR2 (0.52) SMN1; SMN2CHRM1KCNH2CHRM4CHRM5
SCHEMBL8259202 0.76 LMNA (0.43) LMNAPOLBSMN1; SMN2CHRM1CHRM4
SCHEMBL30068327 0.75 LMNA (0.42) LMNAPOLBSMN1; SMN2CHRM1CHRM4
SCHEMBL30532513 0.75 LMNA (0.42) LMNAPOLBSMN1; SMN2CHRM1CHRM4
SCHEMBL12086277 0.75 LMNA (0.42) LMNAPOLBSMN1; SMN2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed
EP-3172197-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP disclosed
EP-3172196-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP disclosed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
WO-2016014918-A1 BENZIMIDAZOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV 17 LLC (US) 2016-01-28 WO disclosed
WO-2016014916-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed