SCHEMBL11182222

SCHEMBL11182222

CCC(C(=O)OCCOC(=O)c1cc(Br)c(N)c(CN2CCN(C)CC2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ULK1 O75385 1/20 0.34
▸ PRMT1 Q99873 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC29A1 Q99808 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL11188751 0.93 HRH3 (0.37) HRH3PTGS1PTGS2MEN1KMT2A
SCHEMBL11171930 0.91 L3MBTL1 (0.39) PTGS1PTGS2MAPTMEN1KMT2A
SCHEMBL11274096 0.90 PTGS2 (0.47) HRH3PTGS1PTGS2DRD3MAPT
SCHEMBL11258108 0.87 PTGS2 (0.44) HRH3PTGS1PTGS2DRD3MAPT
Benzophenone SCHEMBL11274102 0.84 HRH3 (0.41) HRH3DRD3MAPTPOLBPRMT1
SCHEMBL11271305 0.84 PTGS2 (0.48) HRH3PTGS1PTGS2MAPTKDM4E
SCHEMBL11171928 0.83 PTGS1 (0.39) PTGS1PTGS2MAPTTDP1KDM4E
SCHEMBL11256561 0.83 PTGS2 (0.48) HRH3PTGS1PTGS2MAPTKDM4E
SCHEMBL11261401 0.83 PTGS2 (0.48) HRH3PTGS1PTGS2MAPTKDM4E
SCHEMBL11180351 0.82 KDM4E (0.38) PTGS1PTGS2MAPTTDP1KDM4E

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-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
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