SCHEMBL11218869

SCHEMBL11218869

COc1cc(OCC(CN2CCN(c3ccccc3NC(C)=O)CC2)OC(C)=O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 2/20 0.41
ABCB1 P08183 2/20 0.41
KCNQ2 O43526 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11214551 0.89 MAPT (0.53) HSP90AB1MEN1KMT2ATSHRLMNA
SCHEMBL11212942 0.88 HSP90AB1 (0.61) HSP90AB1MEN1KMT2ALMNADRD2
SCHEMBL11814329 0.77 CACNA1G (0.58) HSP90AB1LMNADRD2ALDH1A1MAPT
SCHEMBL11212821 0.75 MAPT (0.62) MEN1KMT2ATSHRLMNADRD2
SCHEMBL11216643 0.75 ALOX15 (0.46) MEN1KMT2ATSHRLMNADRD2
Enciprazine SCHEMBL584730 0.73 MAPT (0.74) HSP90AB1MEN1KMT2ATSHRLMNA
Enciprazine SCHEMBL29710915 0.73 MAPT (0.74) HSP90AB1MEN1KMT2ATSHRLMNA
SCHEMBL11215922 0.73 MAPT (0.61) HSP90AB1MEN1KMT2ATSHRLMNA
Enciprazine SCHEMBL10569674 0.72 MAPT (0.76) HSP90AB1MEN1KMT2ATSHRLMNA
Enciprazine SCHEMBL668369 0.72 MAPT (0.76) HSP90AB1MEN1KMT2ATSHRLMNA

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-4335126-A SEDATIVES, TRANQUILIZERS, AND ANTIPYRETICS; NEUROLEPTIC AND ANTIEDEMIC AGENTS DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed