SCHEMBL11026545

SCHEMBL11026545

N#Cc1cc(C(O)CNC2CCCC2)cc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.46
KDM4E B2RXH2 2/20 0.42
ADRB1 P08588 5/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB3 P13945 1/20 0.41

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 SCHEMBL10882343 0.99 ADRB2 (0.47) ADRB2KDM4EADRB1LMNATSHR
SCHEMBL11026386 0.98 ADRB2 (0.44) ADRB2KDM4EADRB1LMNATSHR
Hydrochloric Acid SCHEMBL11045894 0.96 ADRB2 (0.45) ADRB2KDM4EADRB1LMNATSHR
SCHEMBL11644239 0.95 ADRB2 (0.44) ADRB2KDM4EADRB1LMNATSHR
SCHEMBL11640814 0.91 ADRB2 (0.51) ADRB2KDM4EADRB1TSHRCYP3A4
SCHEMBL11644150 0.89 ADRB2 (0.48) ADRB2KDM4EADRB1TSHRCYP3A4
SCHEMBL11639367 0.85 ADRB2 (0.64) ADRB2KDM4EADRB1TSHRCYP3A4
SCHEMBL11642580 0.85 ADRB2 (0.50) ADRB2KDM4EADRB1TSHRCYP3A4
Hydrochloric Acid SCHEMBL11643322 0.84 ADRB2 (0.45) ADRB2KDM4EADRB1TSHRCYP3A4
SCHEMBL11027506 0.83 ADRB2 (0.61) ADRB2KDM4EADRB1TSHRCYP3A4

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 3 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-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