SCHEMBL22085064

SCHEMBL22085064

CN(C)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1C21c2cc(C(=O)NCCOCCOCCCCCCCl)ccc2C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC2 Q92769 6/20 0.33
▸ HDAC10 Q969S8 6/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC3 O15379 4/20 0.33
▸ HDAC4 P56524 4/20 0.33
▸ HDAC7 Q8WUI4 4/20 0.33
▸ HDAC11 Q96DB2 4/20 0.33
▸ HDAC9 Q9UKV0 4/20 0.33
▸ HDAC5 Q9UQL6 4/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ ADRA1D P25100 1/20 0.32

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
SCHEMBL22086952 0.90 KMT2A (0.33) OPRM1HRH3HDAC1HDAC2HDAC10
SCHEMBL22086953 0.89 KCNH2 (0.36) OPRM1HRH3HDAC1HDAC2HDAC10
SCHEMBL22085070 0.89 KMT2A (0.33) OPRM1HRH3HDAC1HDAC2HDAC10
SCHEMBL24755025 0.89 OPRM1 (0.32) OPRM1HRH3HDAC1HDAC2HDAC10
SCHEMBL22085068 0.89 KCNH2 (0.33) OPRM1HRH3ALDH1A1HDAC1HDAC2
SCHEMBL22085066 0.89 KCNH2 (0.33) OPRM1HRH3ALDH1A1HDAC1HDAC2
SCHEMBL24754700 0.80 HRH3 (0.32) OPRM1HRH3HDAC1HDAC2HDAC10
SCHEMBL24754926 0.80 KCNH2 (0.37) OPRM1HRH3KMT2APOLBNAMPT
SCHEMBL22086468 0.79 KCNH2 (0.34) OPRM1HRH3ALDH1A1HDAC1HDAC2
SCHEMBL22085063 0.79 CA2 (0.34) OPRM1HRH3HDAC1HDAC2HDAC10

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-2020115286-A2 CELL-PERMEABLE FLUOROGENIC FLUOROPHORES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2020-06-11 — — WO disclosed
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