SCHEMBL4441504

SCHEMBL4441504

NC(=O)C1CCC2(CC=NC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4430700 0.84 CYP2C19 (0.35)
SCHEMBL4441595 0.81 CYP2C19 (0.32)
SCHEMBL3543659 0.74 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL15541762 0.70 KDM4E (0.39) SMN1; SMN2
Hydrochloric Acid SCHEMBL31187303 0.69 KMT2A (0.38) SMN1; SMN2
SCHEMBL7692041 0.69 GRM5 (0.39) SMN1; SMN2
SCHEMBL4436006 0.68 CYP2C19 (0.54)
SCHEMBL29967623 0.67 KMT2A (0.41) SMN1; SMN2
SCHEMBL2210895 0.67 HSD11B1 (0.34) CYP3A4SMN1; SMN2
SCHEMBL15855839 0.67 KMT2A (0.31) CYP3A4SMN1; SMN2

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-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP claimed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO claimed