SCHEMBL5129662

SCHEMBL5129662

CC(=O)Oc1cccc(O)c1C1(C2CCN(C(=O)Cc3ccccc3)C2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
TACR3 P29371 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5129667 0.88 ALDH1A1 (0.45) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL5129664 0.88 ALDH1A1 (0.45) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL11244817 0.71 ALDH1A1 (0.54) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL11553191 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1
SCHEMBL11552626 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1
SCHEMBL11552628 0.69 SLC6A4 (0.54) ALDH1A1POLBLMNARAB9AOPRD1
SCHEMBL12385822 0.66 ALDH1A1 (0.67) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL14197774 0.66 ALDH1A1 (0.67) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL2134171 0.65 ALDH1A1 (1.00) ALDH1A1POLBTACR3LMNARAB9A
SCHEMBL1828872 0.64 ALDH1A1 (0.68) ALDH1A1POLBTACR3LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465751-B2 1-substituted-3-pyrrolidine derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-16 US disclosed