SCHEMBL6175083

SCHEMBL6175083

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccccc3)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
BCL2A1 Q16548 1/20 0.43
LMNA P02545 5/20 0.40
MAPT P10636 4/20 0.40
ALOX12 P18054 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6174262 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL13114798 0.76 MAPT (0.48) ALDH1A1MAPTHTTKDM4EDRD2
SCHEMBL6174267 0.75 GPR119 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL5906035 0.74 HCAR1 (0.50) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL7887520 0.74 DRD4 (0.60) ALDH1A1MAPTKDM4EDRD2DRD4
SCHEMBL3518937 0.70 HTT (0.62) ALDH1A1LMNASMN1; SMN2HTTKDM4E
SCHEMBL29945199 0.69 GAA (0.48) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL14884466 0.69 GPR119 (0.48) LMNAMAPTHTTDRD2DRD4
SCHEMBL20639686 0.69 GPR119 (0.48) MAPTHTT
SCHEMBL3034991 0.69 GPR119 (0.45) ALDH1A1LMNAMAPTHTTKMT2A

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-1497298-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES, LTD. (IN) 2005-01-19 EP disclosed
WO-2003087106-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 WO disclosed