SCHEMBL7308971

SCHEMBL7308971

COc1ccc(CCNCC(O)CCl)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ADRB2 P07550 10/20 0.64
ADRB1 P08588 9/20 0.63
LMNA P02545 3/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
ALDH1A1 P00352 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SLC22A1 O15245 1/20 0.63
CHRM2 P08172 1/20 0.63
CYP3A4 P08684 1/20 0.63
CHRM1 P11229 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
OPRM1 P35372 1/20 0.63
HIF1A Q16665 1/20 0.63
ADRB3 P13945 8/20 0.62
OXTR P30559 1/20 0.62
AVPR1A P37288 1/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL9700731 0.87 ADRB2 (0.66) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL9700569 0.87 ADRB2 (0.66) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL11202332 0.86 ADRB2 (0.64) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL11429165 0.86 ADRB2 (0.65) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL2919063 0.86 KMT2A (0.59) KMT2AADRB2ADRB1LMNAALDH1A1
Sulfuric Acid SCHEMBL10570655 0.82 ADRB3 (0.62) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL1970148 0.81 ADRB2 (0.64) KMT2AADRB2ADRB1LMNASLC6A4
SCHEMBL7435099 0.80 ATM (0.76) KMT2AADRB2ALDH1A1KDM4EMEN1
SCHEMBL11884643 0.80 ADRB2 (0.80) KMT2AADRB2ADRB1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9781659 0.80 ADRB2 (0.63) KMT2AADRB2ADRB1LMNASLC6A4

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