SCHEMBL11085616

SCHEMBL11085616

COc1ccc(CCNCC(O)c2ccccc2OC)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.77
ADRB1 P08588 11/20 0.67
LMNA P02545 3/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
ALDH1A1 P00352 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
SLC22A1 O15245 1/20 0.67
CHRM2 P08172 1/20 0.67
CYP3A4 P08684 1/20 0.67
CHRM1 P11229 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
OPRM1 P35372 1/20 0.67
HIF1A Q16665 1/20 0.67
ADRB3 P13945 9/20 0.61
OXTR P30559 1/20 0.60
AVPR1A P37288 1/20 0.60
HTT P42858 1/20 0.60
HTR1A P08908 1/20 0.56

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
Hydrochloric Acid SCHEMBL11330881 0.99 ADRB2 (0.75) ADRB2ADRB1LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11601636 0.93 ADRB2 (0.67) ADRB2ADRB1LMNASLC6A4SLC6A3
SCHEMBL11459080 0.91 ADRB2 (0.72) ADRB2ADRB1LMNASLC6A4SLC6A3
SCHEMBL7337495 0.91 ADRB2 (0.72) ADRB2ADRB1LMNASLC6A4SLC6A3
SCHEMBL11334647 0.91 ADRB2 (0.68) ADRB2ADRB1LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7348099 0.90 ADRB2 (0.70) ADRB2ADRB1LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7343299 0.90 ADRB2 (0.67) ADRB2ADRB1LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11711623 0.89 ADRB2 (0.69) ADRB2ADRB1LMNASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11600535 0.89 ADRB2 (0.62) ADRB2ADRB1LMNASLC6A4SLC6A3
SCHEMBL11545164 0.88 ADRB2 (0.67) ADRB2ADRB1LMNASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53071029-A None JP disclosed
JP-52097924-A None JP disclosed
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 US disclosed
US-4276304-A ANTIDIABETIC, ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1981-06-30 US disclosed
US-4131686-A ANTIDIABETIC TANABE SEIYAKU CO., LTD. (JP) 1978-12-26 US disclosed
JP-S5371029-A PREPARATION OF OPTICAL ACTIVE BENZYL ALCOHOL DERIVS. TANABE SEIYAKU CO LTD 1978-06-24 JP disclosed
JP-S5297924-A BENZYL ALCOHOL DERIVATIVES TANABE SEIYAKU CO LTD 1977-08-17 JP disclosed
US-4011319-A STIMULATING DOPAMINE RECEPTORS, RENAL VASODILATORS, DIURETICS SMITHKLINE CORPORATION (US) 1977-03-08 US disclosed