SCHEMBL11023770

SCHEMBL11023770

CC(C)NCC(O)c1cc(F)c(N)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.61
ADRB1 P08588 4/20 0.61
ADRB3 P13945 4/20 0.61
TSHR P16473 2/20 0.51
HIF1A Q16665 2/20 0.51
ADRA1A P35348 2/20 0.51
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 2/20 0.44
MTOR P42345 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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 SCHEMBL11036484 0.99 ADRB2 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL11022920 0.83 ADRB2 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL11026851 0.82 ADRB1 (0.61) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL11643166 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3TSHRHIF1A
Hydrochloric Acid SCHEMBL11037367 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL11030043 0.81 ADRB2 (0.58) ADRB2ADRB1TSHRHIF1AADRA1A
Hydrochloric Acid SCHEMBL11643959 0.81 ADRB2 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A
Hydrochloric Acid SCHEMBL10882011 0.81 ADRB1 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL7147978 0.81 ADRB2 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A
SCHEMBL7147981 0.81 ADRB2 (0.60) ADRB2ADRB1ADRB3TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057900-B1 ANIMAL FEED ADDITIVE FOR IMPROVING GROWTH Dr. Karl Thomae GmbH (DE) 1985-05-08 EP claimed
EP-0057900-B1 ANIMAL FEED ADDITIVE FOR IMPROVING GROWTH Dr. Karl Thomae GmbH (DE) 1985-05-08 EP disclosed
EP-0057900-A1 Animal feed additive for improving growth Dr. Karl Thomae GmbH (DE) 1982-08-18 EP disclosed
US-4119710-A ANALGESICS, UTEROSPASMOLYTICS, ANTISPASTICS, BLOCKING AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1978-10-10 US disclosed