SCHEMBL11545404

SCHEMBL11545404

Cc1ccccc1OCC(O)CN(Cc1ccccc1)C(C)(C)COc1ccc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB1 P08588 4/20 0.40
ADRB2 P07550 3/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALOX15 P16050 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
SCHEMBL11548610 0.82 POLB (0.47) ADRB3ADRB1ADRB2OPRM1OPRD1
SCHEMBL11549384 0.82 POLB (0.47) ADRB3MEN1KMT2AOPRM1OPRD1
SCHEMBL11549162 0.78 ADRB1 (0.54) ADRB3ADRB1ADRB2
SCHEMBL11548958 0.74 POLB (0.57) ADRB3OPRM1OPRD1OPRK1
SCHEMBL11545627 0.72 KDM4E (0.53) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL11549323 0.72 KDM4E (0.49) ADRB3KMT2AADRB1ADRB2
SCHEMBL11545374 0.70 ALDH1A1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL11547011 0.69 POLB (0.42) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL21759058 0.69 POLB (0.59) ADRB3MEN1KMT2AADRB1ADRB2
SCHEMBL11236059 0.68 MEN1 (0.50) MEN1KMT2AADRB1ADRB2

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
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed