SCHEMBL11028356

SCHEMBL11028356

Nc1c(F)cc(C(O)CNC2CC2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.43
KDM4E B2RXH2 1/20 0.38
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KMT2A Q03164 1/20 0.34

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 SCHEMBL11323384 0.99 ADRB2 (0.42) ADRB2KDM4EADRB1ADRB3KMT2A
SCHEMBL11647977 0.95 KDM4E (0.42) ADRB2KDM4EADRB1ADRB3KMT2A
SCHEMBL11641694 0.83 ADRB2 (0.53) ADRB2KDM4EKMT2A
SCHEMBL11025205 0.83 ADRB2 (0.47) ADRB2KDM4EADRB1ADRB3
Hydrochloric Acid SCHEMBL11037723 0.82 LMNA (0.48) ADRB2KDM4EADRB1
SCHEMBL11640488 0.80 ADRB2 (0.49) ADRB2KDM4EADRB1ADRB3
SCHEMBL11640443 0.78 ADRB2 (0.60) ADRB2KDM4EKMT2A
SCHEMBL11027403 0.78 ADRB2 (0.57) ADRB2KDM4EKMT2A
Hydrochloric Acid SCHEMBL10878234 0.77 ADRB2 (0.59) ADRB2KDM4EKMT2A
SCHEMBL11641575 0.77 ADRB2 (0.61) ADRB2KDM4EKMT2A

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