SCHEMBL11027403

SCHEMBL11027403

Nc1c(F)cc(C(O)CNC2CCC2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.57
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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 SCHEMBL10878234 0.99 ADRB2 (0.59) ADRB2KMT2AKDM4E
SCHEMBL11640443 0.97 ADRB2 (0.60) ADRB2KMT2AKDM4E
SCHEMBL11641575 0.96 ADRB2 (0.61) ADRB2KMT2AKDM4E
SCHEMBL11641694 0.95 ADRB2 (0.53) ADRB2KMT2AKDM4E
SCHEMBL11646246 0.85 ADRB2 (0.59) ADRB2KDM4E
SCHEMBL11647977 0.84 KDM4E (0.42) ADRB2KMT2AKDM4E
SCHEMBL11636355 0.82 ADRB2 (0.62) ADRB2KMT2AKDM4E
SCHEMBL11027506 0.81 ADRB2 (0.61) ADRB2KDM4E
SCHEMBL11027251 0.81 ADRB2 (0.50) ADRB2KMT2AKDM4E
Hydrochloric Acid SCHEMBL11042296 0.80 ADRB2 (0.49) ADRB2KMT2AKDM4E

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