SCHEMBL8767508

SCHEMBL8767508

C=C1C(=O)c2ccc(OC)cc2CC1N(Cc1ccccc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
BCHE P06276 3/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
METAP1 P53582 3/20 0.40
MIF P14174 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
OPRM1 P35372 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP24A1 Q07973 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
SCHEMBL8768766 0.81 ACHE (0.45) ACHEBCHEMTNR1AMTNR1BMETAP1
SCHEMBL8768044 0.80 METAP1 (0.45) ACHEBCHEMTNR1AMTNR1BMETAP1
SCHEMBL8767407 0.74 TSHR (0.41) ACHEBCHEMTNR1AMTNR1BTSHR
SCHEMBL8768151 0.74 DRD2 (0.52) ACHEMTNR1AMTNR1BOPRM1
SCHEMBL5359275 0.67 TSHR (0.46) TSHRMEN1MAPTKMT2AOPRM1
SCHEMBL5582351 0.66 CYP19A1 (0.77) ACHEMETAP1CYP24A1
SCHEMBL16082195 0.66 METAP1 (0.53) ACHEMETAP1TSHRLMNASMN1; SMN2
SCHEMBL5370790 0.65 KMT2A (0.48) TSHRMEN1POLBMAPTKMT2A
SCHEMBL11860908 0.65 ACHE (0.46) ACHEBCHEMETAP1MEN1KMT2A
SCHEMBL28019674 0.64 CCR5 (0.47) MTNR1AKMT2AOPRM1LMNA

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
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed