SCHEMBL11026693

SCHEMBL11026693

CC(C)(C)NCC(O)c1cc(C#N)c(N)c(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.61
LMNA P02545 5/20 0.61
TSHR P16473 3/20 0.61
ADRB1 P08588 2/20 0.61
HTR1A P08908 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRK1 P41145 1/20 0.61
SLC6A3 Q01959 1/20 0.61
CYP3A4 P08684 3/20 0.60
KDM4E B2RXH2 2/20 0.60
CASP7 P55210 2/20 0.55
KMT2A Q03164 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP2C9 P11712 1/20 0.55
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
BLM P54132 1/20 0.49

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 SCHEMBL11051614 0.98 LMNA (0.62) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL10657518 0.92 ADRB2 (0.56) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL10659323 0.90 ADRB2 (0.55) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL10614302 0.90 ADRB2 (0.62) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL10614330 0.90 ADRB1 (0.74) ADRB2LMNATSHRADRB1HTR1A
Hydrochloric Acid SCHEMBL10885089 0.89 LMNA (0.56) ADRB2LMNATSHRADRB1HTR1A
Hydrochloric Acid SCHEMBL11320228 0.89 ADRB2 (0.62) ADRB2LMNATSHRADRB1HTR1A
Hydrochloric Acid SCHEMBL11345420 0.89 LMNA (0.75) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL11641682 0.87 BCHE (0.47) ADRB2LMNATSHRADRB1HTR1A
SCHEMBL9706066 0.84 ADRB2 (0.69) ADRB2LMNATSHRADRB1HTR1A

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