SCHEMBL11148240

SCHEMBL11148240

Cc1nccn1CC=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TLR4 O00206 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL11446079 0.88 KCNH2 (0.43) OPRD1POLBALDH1A1KMT2ALMNA
SCHEMBL11147547 0.87 BTK (0.40) BTKPOLBMEN1ALDH1A1KMT2A
SCHEMBL11155733 0.86 OPRD1 (0.37) OPRD1PPARGPPARAPOLBLMNA
SCHEMBL11147568 0.83 BTK (0.39) BTKMEN1KMT2ANPC1LMNA
SCHEMBL11148693 0.79 KCNH2 (0.40) MEN1KMT2ALMNA
SCHEMBL11148698 0.79 KCNH2 (0.40) MEN1KMT2ALMNA
SCHEMBL11440320 0.79 TDP1 (0.41) OPRD1POLBMEN1KMT2ALMNA
SCHEMBL11148132 0.77 POLB (0.44) BTKPOLBMEN1KMT2ANPC1
SCHEMBL11439870 0.76 KCNH2 (0.39) POLBALDH1A1KMT2ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL11433492 0.76 POLB (0.43) BTKPOLBMEN1KMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009683-B1 BASIC PHENYL ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE PREPARATION OF THESE ETHERS AND COMPOSITIONS MERCK PATENT GmbH (DE) 1983-08-10 — — EP disclosed
EP-0009683-A1 Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions MERCK PATENT GmbH (DE) 1980-04-16 — — EP disclosed
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