SCHEMBL10715919

SCHEMBL10715919

CC(C)(C)NCC(O)C1(C)C=CC(N)C(C#N)=C1F.CC(C)NCC(O)c1cc(F)cc(C#N)c1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9821042 0.82 HTR1A (0.32)
SCHEMBL9821104 0.75 ADRB2 (0.49) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL9821113 0.74 ADRB2 (0.41) ADRB2ADRB1CYP1A2CYP3A4TSHR
SCHEMBL9820958 0.64 ADRB2 (0.46) ADRB2ADRB1CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL9821006 0.63 BLM (0.47) ADRB2ADRB1CYP3A4TSHR
SCHEMBL10533254 0.61 ADRB2 (0.51) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL10535066 0.60 ADRB2 (0.43) ADRB2ADRB1CYP3A4TSHR
SCHEMBL9821254 0.60 ADRB1 (0.54) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL9821038 0.59 ADRB2 (0.51) ADRB2ADRB1ADRB3CYP1A2CYP3A4
SCHEMBL9821165 0.59 CYP11B1 (0.39) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224001-A1 Anthranilonitrile derivatives and related compounds as useful agents for promoting growth, improving feed efficiency, and for increasing the lean meat to fat ratio of warm-blooded animals AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP claimed