SCHEMBL11212942

SCHEMBL11212942

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.61
MAPT P10636 4/20 0.55
ALDH1A1 P00352 1/20 0.55
ABCB1 P08183 6/20 0.53
KCNH2 Q12809 2/20 0.52
LMNA P02545 2/20 0.52
CACNA1G O43497 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR7 P34969 1/20 0.52
USP2 O75604 1/20 0.51
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL11218869 0.88 HSP90AB1 (0.50) HSP90AB1MAPTALDH1A1ABCB1LMNA
Enciprazine SCHEMBL29710915 0.85 MAPT (0.74) HSP90AB1MAPTALDH1A1KCNH2LMNA
Enciprazine SCHEMBL584730 0.85 MAPT (0.74) HSP90AB1MAPTALDH1A1KCNH2LMNA
SCHEMBL11212821 0.85 MAPT (0.62) MAPTALDH1A1ABCB1KCNH2LMNA
SCHEMBL11215922 0.84 MAPT (0.61) HSP90AB1MAPTALDH1A1KCNH2LMNA
Enciprazine SCHEMBL668369 0.84 MAPT (0.76) HSP90AB1MAPTALDH1A1KCNH2LMNA
Enciprazine SCHEMBL10569674 0.84 MAPT (0.76) HSP90AB1MAPTALDH1A1KCNH2LMNA
SCHEMBL8615117 0.84 MAPT (0.66) HSP90AB1MAPTALDH1A1ABCB1KCNH2
Enciprazine SCHEMBL1649926 0.83 MAPT (0.71) HSP90AB1MAPTALDH1A1KCNH2LMNA
SCHEMBL11213511 0.80 MAPT (0.60) HSP90AB1MAPTALDH1A1KCNH2LMNA

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