SCHEMBL7589972

SCHEMBL7589972

O=c1ccc(C2(O)CCNCC2)c[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.33
VNN1 O95497 1/20 0.33
SYK P43405 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
TRPV5 Q9NQA5 1/20 0.32
EPHB3 P54753 1/20 0.32
MAPKAPK2 P49137 1/20 0.30
IDH1 O75874 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8781677 0.84 ALDH1A1 (0.36) DRD2ALDH1A1TRPV6TRPV5MAPT
SCHEMBL8781567 0.81 ALDH1A1 (0.34) DRD2ALDH1A1OPRM1VNN1TRPV6
SCHEMBL25433642 0.80 SLC6A2 (0.33) DRD2SIGMAR1ALDH1A1VNN1MAPT
SCHEMBL20751420 0.76 PRKAB2 (0.39) ALDH1A1IDH1KMT2A
SCHEMBL6041455 0.76 KMT2A (0.38) DRD2ALDH1A1OPRM1KMT2A
SCHEMBL6955508 0.72 DRD2 (0.34) DRD2ALDH1A1OPRM1TRPV6TRPV5
SCHEMBL652586 0.71 DRD2 (0.68) DRD2SIGMAR1ALDH1A1OPRM1MAPKAPK2
SCHEMBL187716 0.69 DRD2 (1.00) DRD2OPRM1MAPKAPK2KMT2A
SCHEMBL615480 0.69 DRD2 (0.66) DRD2SIGMAR1OPRM1
SCHEMBL613058 0.69 DRD2 (0.66) DRD2SIGMAR1OPRM1MAPKAPK2KMT2A

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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed