SCHEMBL7319624

SCHEMBL7319624

COCCOCc1ccccc1OCC(O)CNCCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
ADRB3 P13945 8/20 0.54
ADRB1 P08588 7/20 0.54
ADRB2 P07550 7/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
KCNH2 Q12809 1/20 0.48
HTR1A P08908 1/20 0.46

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
SCHEMBL7315445 0.92 ADRB3 (0.56) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7312955 0.92 ADRB2 (0.57) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7311030 0.91 ADRB3 (0.55) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7314435 0.91 ADRB3 (0.55) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7309456 0.90 ADRB3 (0.60) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7315388 0.86 ADRB2 (0.58) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7317896 0.85 ADRB2 (0.56) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7305119 0.84 KMT2A (0.50) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7312116 0.83 KMT2A (0.52) KMT2AMEN1ADRB3ADRB1ADRB2
SCHEMBL7311038 0.82 ADRB2 (0.56) KMT2AMEN1ADRB3ADRB1ADRB2

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-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US disclosed